1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene

C24H25N7O2S3 — CID 159537573

IUPAC1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1ccncc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;1-4H;1-3H,(H,4,5);4*1-3H
InChIKeyMDUCHIXXLUUAPU-UHFFFAOYSA-N
MW539.71 g/mol
LogP6.87
Rot. Bonds

About 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene

1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 159537573) has the molecular formula C24H25N7O2S3 and a molecular weight of 539.71 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID159537573
Molecular FormulaC24H25N7O2S3
Molecular Weight539.71 g/mol
Exact Mass539.12
IUPAC Name1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1ccncc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;1-4H;1-3H,(H,4,5);4*1-3H
InChIKeyMDUCHIXXLUUAPU-UHFFFAOYSA-N
XLogP6.87
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500539.71
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole
CID 141039259
benzene;cyclopenta-1,3-diene;4,5-dihydropyridazine;1,2-dihydropyridine;furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1H-pyridin-2-one;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
CID 158231924
Decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 158350317
Ethane;1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 160141828
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 160973161
benzene;4,5-dihydropyridazine;1,2-dihydropyridine;furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;thiophene;2H-triazole
CID 161609751

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene (CID 159537573) is 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene is c1ccncc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is MDUCHIXXLUUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;1-4H;1-3H,(H,4,5);4*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene?
1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 539.71 g/mol, XLogP of 6.87, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 159537573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).