4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole

C22H20ClN3O — CID 167643102

IUPAC4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2c(C)noc2C)cc1Cc1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O/c1-14-4-6-18(22-15(2)25-27-16(22)3)12-19(14)10-17-5-7-21(20(23)11-17)26-9-8-24-13-26/h4-9,11-13H,10H2,1-3H3
InChIKeySPSKJMSRHMKCGN-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.70
Rot. Bonds4

About 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole

4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 167643102) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
PubChem CID167643102
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2c(C)noc2C)cc1Cc1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O/c1-14-4-6-18(22-15(2)25-27-16(22)3)12-19(14)10-17-5-7-21(20(23)11-17)26-9-8-24-13-26/h4-9,11-13H,10H2,1-3H3
InChIKeySPSKJMSRHMKCGN-UHFFFAOYSA-N
XLogP5.70
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-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

3,5-dimethyl-4-[4-methyl-3-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]phenyl]-1,2-oxazole
CID 167674168
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
CID 70471993
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine
CID 155187624
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-imidazol-1-ylphenyl)-2-methyl-N-octylaniline
CID 166996605
1-[2-chloro-4-(isocyanatomethyl)phenyl]imidazole
CID 117339560
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732
tert-butyl 2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)oxyacetate
CID 166996659
N-[4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-N,2-dimethylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-imidazol-1-ylphenyl)-N,2-dimethylaniline
CID 167622321
1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole
CID 141434391
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole (CID 167643102) is 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole is Cc1ccc(-c2c(C)noc2C)cc1Cc1ccc(-n2ccnc2)c(Cl)c1.
What is the InChIKey of 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is SPSKJMSRHMKCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c1-14-4-6-18(22-15(2)25-27-16(22)3)12-19(14)10-17-5-7-21(20(23)11-17)26-9-8-24-13-26/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 377.88 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-4-imidazol-1-ylphenyl)methyl]-4-methylphenyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 167643102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).