1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)

C111H159N87O22S12 — CID 160536899

IUPAC1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)
SMILESC1=CNCC1.C1=CONC1.C1=CSCN1.C1=NCCS1.C1=NCSC1.C1=NNCC1.C1CCNC1.C1N=NCS1.O=C1C=NNC1.O=C1CC=NN1.O=C1CCC(=O)N1.O=C1CCCN1.O=C1CCNC1.O=C1CNC(=O)N1.O=C1CNCN1.O=C1NCCN1.O=c1[nH]cc[nH]1.O=c1cc[nH][nH]1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.c1nnno1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1
InChIInChI=1S/C4H5NO2.2C4H7NO.C4H9N.C4H7N.C4H5N.C3H4N2O2.C3H6N2O.C3H4N2O.C3H6N2O.3C3H4N2O.C3H4N2.C3H6N2.C3H4N2.C3H3NO.C3H5NO.C3H3NO.3C3H5NS.2C3H3NS.4C2H3N3.4C2H2N2O.C2H4N2S.4C2H2N2S.2CH2N4.3CHN3O.2CHN3S/c6-3-1-2-4(7)5-3;6-4-1-2-5-3-4;6-4-2-1-3-5-4;3*1-2-4-5-3-1;6-2-1-4-3(7)5-2;6-3-1-4-2-5-3;6-3-1-4-5-2-3;2*6-3-4-1-2-5-3;2*6-3-1-2-4-5-3;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;4*1-2-5-3-4-1;1-2-4-5-3-1;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;2*1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;3*1-2-4-5-3-1;2*1-2-3-4-5-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-2H2,(H,5,6,7);5H,1-3H2;1-3H2,(H,5,6);5H,1-4H2;1,3,5H,2,4H2;1-5H;1H2,(H2,4,5,6,7);4H,1-2H2,(H,5,6);1,5H,2H2;1-2H2,(H2,4,5,6);1-2H,(H2,4,5,6);2H,1H2,(H,5,6);1-2H,(H2,4,5,6);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);1-3H;1,3-4H,2H2;1-3H;3H,1-2H2;1H,2-3H2;1-2,4H,3H2;2*1-3H;4*1-2H,(H,3,4,5);4*1-2H;1-2H2;4*1-2H;2*1H,(H,2,3,4,5);5*1H
InChIKeyQWGTTYVPQOTLDO-UHFFFAOYSA-N
MW3448.88 g/mol
LogP1.72
Rot. Bonds

About 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)

1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) (PubChem CID 160536899) has the molecular formula C111H159N87O22S12 and a molecular weight of 3448.88 g/mol. Its IUPAC name is 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole).

Molecular Properties

Compound Name1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)
PubChem CID160536899
Molecular FormulaC111H159N87O22S12
Molecular Weight3448.88 g/mol
Exact Mass3446.06
IUPAC Name1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)
SMILESC1=CNCC1.C1=CONC1.C1=CSCN1.C1=NCCS1.C1=NCSC1.C1=NNCC1.C1CCNC1.C1N=NCS1.O=C1C=NNC1.O=C1CC=NN1.O=C1CCC(=O)N1.O=C1CCCN1.O=C1CCNC1.O=C1CNC(=O)N1.O=C1CNCN1.O=C1NCCN1.O=c1[nH]cc[nH]1.O=c1cc[nH][nH]1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.c1nnno1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1
InChIInChI=1S/C4H5NO2.2C4H7NO.C4H9N.C4H7N.C4H5N.C3H4N2O2.C3H6N2O.C3H4N2O.C3H6N2O.3C3H4N2O.C3H4N2.C3H6N2.C3H4N2.C3H3NO.C3H5NO.C3H3NO.3C3H5NS.2C3H3NS.4C2H3N3.4C2H2N2O.C2H4N2S.4C2H2N2S.2CH2N4.3CHN3O.2CHN3S/c6-3-1-2-4(7)5-3;6-4-1-2-5-3-4;6-4-2-1-3-5-4;3*1-2-4-5-3-1;6-2-1-4-3(7)5-2;6-3-1-4-2-5-3;6-3-1-4-5-2-3;2*6-3-4-1-2-5-3;2*6-3-1-2-4-5-3;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;4*1-2-5-3-4-1;1-2-4-5-3-1;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;2*1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;3*1-2-4-5-3-1;2*1-2-3-4-5-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-2H2,(H,5,6,7);5H,1-3H2;1-3H2,(H,5,6);5H,1-4H2;1,3,5H,2,4H2;1-5H;1H2,(H2,4,5,6,7);4H,1-2H2,(H,5,6);1,5H,2H2;1-2H2,(H2,4,5,6);1-2H,(H2,4,5,6);2H,1H2,(H,5,6);1-2H,(H2,4,5,6);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);1-3H;1,3-4H,2H2;1-3H;3H,1-2H2;1H,2-3H2;1-2,4H,3H2;2*1-3H;4*1-2H,(H,3,4,5);4*1-2H;1-2H2;4*1-2H;2*1H,(H,2,3,4,5);5*1H
InChIKeyQWGTTYVPQOTLDO-UHFFFAOYSA-N
XLogP1.72
TPSA1473.99 Ų
H-Bond Donors29
H-Bond Acceptors100
Rotatable Bonds
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003448.88
LogP ≤ 51.72
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 10100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The IUPAC name of 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) (CID 160536899) is 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole).
What is the SMILES notation for 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The canonical SMILES for 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) is C1=CNCC1.C1=CONC1.C1=CSCN1.C1=NCCS1.C1=NCSC1.C1=NNCC1.C1CCNC1.C1N=NCS1.O=C1C=NNC1.O=C1CC=NN1.O=C1CCC(=O)N1.O=C1CCCN1.O=C1CCNC1.O=C1CNC(=O)N1.O=C1CNCN1.O=C1NCCN1.O=c1[nH]cc[nH]1.O=c1cc[nH][nH]1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.c1nnno1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1.
What is the InChIKey of 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The InChIKey is QWGTTYVPQOTLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.2C4H7NO.C4H9N.C4H7N.C4H5N.C3H4N2O2.C3H6N2O.C3H4N2O.C3H6N2O.3C3H4N2O.C3H4N2.C3H6N2.C3H4N2.C3H3NO.C3H5NO.C3H3NO.3C3H5NS.2C3H3NS.4C2H3N3.4C2H2N2O.C2H4N2S.4C2H2N2S.2CH2N4.3CHN3O.2CHN3S/c6-3-1-2-4(7)5-3;6-4-1-2-5-3-4;6-4-2-1-3-5-4;3*1-2-4-5-3-1;6-2-1-4-3(7)5-2;6-3-1-4-2-5-3;6-3-1-4-5-2-3;2*6-3-4-1-2-5-3;2*6-3-1-2-4-5-3;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;4*1-2-5-3-4-1;1-2-4-5-3-1;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;2*1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;3*1-2-4-5-3-1;2*1-2-3-4-5-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-2H2,(H,5,6,7);5H,1-3H2;1-3H2,(H,5,6);5H,1-4H2;1,3,5H,2,4H2;1-5H;1H2,(H2,4,5,6,7);4H,1-2H2,(H,5,6);1,5H,2H2;1-2H2,(H2,4,5,6);1-2H,(H2,4,5,6);2H,1H2,(H,5,6);1-2H,(H2,4,5,6);1-3H,(H,4,5);2,5H,1,3H2;1-3H,(H,4,5);1-3H;1,3-4H,2H2;1-3H;3H,1-2H2;1H,2-3H2;1-2,4H,3H2;2*1-3H;4*1-2H,(H,3,4,5);4*1-2H;1-2H2;4*1-2H;2*1H,(H,2,3,4,5);5*1H.
What are the key properties of 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) has a molecular weight of 3448.88 g/mol, XLogP of 1.72, 0 rotatable bonds, 29 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazol-2-one;2,3-dihydro-1,2-oxazole;4,5-dihydro-1H-pyrazole;1,2-dihydropyrazol-3-one;1,4-dihydropyrazol-5-one;1,5-dihydropyrazol-4-one;2,3-dihydro-1H-pyrrole;2,5-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,3-thiazole;2,5-dihydro-1,3-thiazole;4,5-dihydro-1,3-thiazole;1H-imidazole;imidazolidine-2,4-dione;imidazolidin-2-one;imidazolidin-4-one;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(oxatriazole);1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;pyrrolidin-3-one;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) is sourced from PubChem (CID 160536899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).