1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole

C12H13N5O2S — CID 174571343

IUPAC1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole
SMILESc1c[nH]cn1.c1cnoc1.c1cnsc1.c1cocn1
InChIInChI=1S/C3H4N2.2C3H3NO.C3H3NS/c2*1-2-5-3-4-1;2*1-2-4-5-3-1/h1-3H,(H,4,5);3*1-3H
InChIKeySAYIWNPWVHLYRU-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.90
Rot. Bonds

About 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole

1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole (PubChem CID 174571343) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole
PubChem CID174571343
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole
SMILESc1c[nH]cn1.c1cnoc1.c1cnsc1.c1cocn1
InChIInChI=1S/C3H4N2.2C3H3NO.C3H3NS/c2*1-2-5-3-4-1;2*1-2-4-5-3-1/h1-3H,(H,4,5);3*1-3H
InChIKeySAYIWNPWVHLYRU-UHFFFAOYSA-N
XLogP2.90
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole?
The IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole (CID 174571343) is 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole.
What is the SMILES notation for 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole?
The canonical SMILES for 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole is c1c[nH]cn1.c1cnoc1.c1cnsc1.c1cocn1.
What is the InChIKey of 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole?
The InChIKey is SAYIWNPWVHLYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C3H3NO.C3H3NS/c2*1-2-5-3-4-1;2*1-2-4-5-3-1/h1-3H,(H,4,5);3*1-3H.
What are the key properties of 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole?
1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole has a molecular weight of 291.34 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole is sourced from PubChem (CID 174571343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).