3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole

C17H13N3O — CID 135538073

IUPAC3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)no2)cc1
InChIInChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)16-10-15(20-21-16)17-18-13-4-2-3-5-14(13)19-17/h2-10H,1H3,(H,18,19)
InChIKeyCQRQNRLSVPCANZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.19
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole

3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole (PubChem CID 135538073) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole
PubChem CID135538073
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)no2)cc1
InChIInChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)16-10-15(20-21-16)17-18-13-4-2-3-5-14(13)19-17/h2-10H,1H3,(H,18,19)
InChIKeyCQRQNRLSVPCANZ-UHFFFAOYSA-N
XLogP4.19
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole 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

5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
CID 135995577
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
CID 135470365
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146021559
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole (CID 135538073) is 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole is Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)no2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole?
The InChIKey is CQRQNRLSVPCANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)16-10-15(20-21-16)17-18-13-4-2-3-5-14(13)19-17/h2-10H,1H3,(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole?
3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole has a molecular weight of 275.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 135538073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).