2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole

C15H14ClN3O — CID 56759177

IUPAC2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1
InChIInChI=1S/C15H14ClN3O/c1-10-7-19(9-17-10)8-14-11(2)20-15(18-14)12-4-3-5-13(16)6-12/h3-7,9H,8H2,1-2H3
InChIKeyBFGGLBFVLPPZQJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole

2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56759177) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56759177
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1
InChIInChI=1S/C15H14ClN3O/c1-10-7-19(9-17-10)8-14-11(2)20-15(18-14)12-4-3-5-13(16)6-12/h3-7,9H,8H2,1-2H3
InChIKeyBFGGLBFVLPPZQJ-UHFFFAOYSA-N
XLogP3.86
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
CID 141137433
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53092975
N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
CID 141128904
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(furan-2-ylmethyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 25238646
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 56861269
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894106
2-(3-chlorophenyl)-4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084974
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95394340
5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 50838067

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole (CID 56759177) is 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole is Cc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is BFGGLBFVLPPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10-7-19(9-17-10)8-14-11(2)20-15(18-14)12-4-3-5-13(16)6-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 287.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56759177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).