azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)

C168H268N80O21S12 — CID 162162411

IUPACazetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
SMILESC.C.C1=CSCC1.C1=NCCO1.C1=NCCS1.C1=NNCC1.C1=NOCC1.C1=NSCC1.C1CCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1CNOC1.C1CNSC1.C1CO1.C1COC1.C1COCCN1.C1COCCO1.C1COCO1.C1COCOC1.C1CSCN1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H11N.C5H5N.C5H10O.C5H10.C4H10N2.3C4H4N2.C4H9NO.C4H9N.C4H5N.2C4H8O2.C4H8O.C4H4O.C4H6S.C4H4S.C4H8.3C3H3N3.C3H4N2.C3H6N2.C3H4N2.C3H5NO.C3H3NO.C3H7NO.C3H5NO.C3H3NO.C3H7NS.C3H5NS.C3H3NS.C3H7NS.C3H5NS.C3H3NS.C3H7N.C3H6O2.C3H6O.C2H2N4.4C2H3N3.4C2H2N2O.4C2H2N2S.C2H4O.2CH2N4.2CH4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-2-4-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;1-2-4-3-1;1-3-5-2-6-4-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-3-1;2*1-2-4-5-3-1;;/h6H,1-5H2;1-5H;1-5H2;1-5H2;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;1-5H;2*1-4H2;1-4H2;1-4H;1,3H,2,4H2;1-4H;1-4H2;3*1-3H;1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);3H,1-2H2;1-3H;4H,1-3H2;2H,1,3H2;1-3H;4H,1-3H2;3H,1-2H2;1-3H;4H,1-3H2;2H,1,3H2;1-3H;4H,1-3H2;1-3H2;1-3H2;1-2H;4*1-2H,(H,3,4,5);8*1-2H;1-2H2;2*1H,(H,2,3,4,5);2*1H4
InChIKeyZMQXLYPIKTVYKX-UHFFFAOYSA-N
MW4129.33 g/mol
LogP22.16
Rot. Bonds

About azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)

azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) (PubChem CID 162162411) has the molecular formula C168H268N80O21S12 and a molecular weight of 4129.33 g/mol. Its IUPAC name is azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole).

Molecular Properties

Compound Nameazetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
PubChem CID162162411
Molecular FormulaC168H268N80O21S12
Molecular Weight4129.33 g/mol
Exact Mass4125.90
IUPAC Nameazetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
SMILESC.C.C1=CSCC1.C1=NCCO1.C1=NCCS1.C1=NNCC1.C1=NOCC1.C1=NSCC1.C1CCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1CNOC1.C1CNSC1.C1CO1.C1COC1.C1COCCN1.C1COCCO1.C1COCO1.C1COCOC1.C1CSCN1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H11N.C5H5N.C5H10O.C5H10.C4H10N2.3C4H4N2.C4H9NO.C4H9N.C4H5N.2C4H8O2.C4H8O.C4H4O.C4H6S.C4H4S.C4H8.3C3H3N3.C3H4N2.C3H6N2.C3H4N2.C3H5NO.C3H3NO.C3H7NO.C3H5NO.C3H3NO.C3H7NS.C3H5NS.C3H3NS.C3H7NS.C3H5NS.C3H3NS.C3H7N.C3H6O2.C3H6O.C2H2N4.4C2H3N3.4C2H2N2O.4C2H2N2S.C2H4O.2CH2N4.2CH4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-2-4-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;1-2-4-3-1;1-3-5-2-6-4-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-3-1;2*1-2-4-5-3-1;;/h6H,1-5H2;1-5H;1-5H2;1-5H2;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;1-5H;2*1-4H2;1-4H2;1-4H;1,3H,2,4H2;1-4H;1-4H2;3*1-3H;1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);3H,1-2H2;1-3H;4H,1-3H2;2H,1,3H2;1-3H;4H,1-3H2;3H,1-2H2;1-3H;4H,1-3H2;2H,1,3H2;1-3H;4H,1-3H2;1-3H2;1-3H2;1-2H;4*1-2H,(H,3,4,5);8*1-2H;1-2H2;2*1H,(H,2,3,4,5);2*1H4
InChIKeyZMQXLYPIKTVYKX-UHFFFAOYSA-N
XLogP22.16
TPSA1270.55 Ų
H-Bond Donors19
H-Bond Acceptors104
Rotatable Bonds
Heavy Atoms281
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004129.33
LogP ≤ 522.16
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 10104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The IUPAC name of azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) (CID 162162411) is azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole).
What is the SMILES notation for azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The canonical SMILES for azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) is C.C.C1=CSCC1.C1=NCCO1.C1=NCCS1.C1=NNCC1.C1=NOCC1.C1=NSCC1.C1CCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1CNOC1.C1CNSC1.C1CO1.C1COC1.C1COCCN1.C1COCCO1.C1COCO1.C1COCOC1.C1CSCN1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1.
What is the InChIKey of azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The InChIKey is ZMQXLYPIKTVYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H5N.C5H10O.C5H10.C4H10N2.3C4H4N2.C4H9NO.C4H9N.C4H5N.2C4H8O2.C4H8O.C4H4O.C4H6S.C4H4S.C4H8.3C3H3N3.C3H4N2.C3H6N2.C3H4N2.C3H5NO.C3H3NO.C3H7NO.C3H5NO.C3H3NO.C3H7NS.C3H5NS.C3H3NS.C3H7NS.C3H5NS.C3H3NS.C3H7N.C3H6O2.C3H6O.C2H2N4.4C2H3N3.4C2H2N2O.4C2H2N2S.C2H4O.2CH2N4.2CH4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-2-4-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;1-2-4-3-1;1-3-5-2-6-4-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-3-1;2*1-2-4-5-3-1;;/h6H,1-5H2;1-5H;1-5H2;1-5H2;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;1-5H;2*1-4H2;1-4H2;1-4H;1,3H,2,4H2;1-4H;1-4H2;3*1-3H;1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);3H,1-2H2;1-3H;4H,1-3H2;2H,1,3H2;1-3H;4H,1-3H2;3H,1-2H2;1-3H;4H,1-3H2;2H,1,3H2;1-3H;4H,1-3H2;1-3H2;1-3H2;1-2H;4*1-2H,(H,3,4,5);8*1-2H;1-2H2;2*1H,(H,2,3,4,5);2*1H4.
What are the key properties of azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?
azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) has a molecular weight of 4129.33 g/mol, XLogP of 22.16, 0 rotatable bonds, 19 hydrogen bond donors, and 104 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;cyclobutane;cyclopentane;4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;4,5-dihydro-1H-pyrazole;4,5-dihydro-1,2-thiazole;4,5-dihydro-1,3-thiazole;2,3-dihydrothiophene;1,3-dioxane;1,4-dioxane;1,3-dioxolane;furan;1H-imidazole;methane;morpholine;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;1,2-oxazolidine;oxetane;oxirane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,4,5-tetrazine;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,2-thiazolidine;1,3-thiazolidine;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) is sourced from PubChem (CID 162162411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).