5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

C18H15ClN2O2 — CID 20963781

IUPAC5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H15ClN2O2/c1-12-4-2-5-13(8-12)10-20-18(22)16-17(23-11-21-16)14-6-3-7-15(19)9-14/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyNQXONZNXAHHASH-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.23
Rot. Bonds4

About 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 20963781) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID20963781
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H15ClN2O2/c1-12-4-2-5-13(8-12)10-20-18(22)16-17(23-11-21-16)14-6-3-7-15(19)9-14/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyNQXONZNXAHHASH-UHFFFAOYSA-N
XLogP4.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232242
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
5-(3-chlorophenyl)-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 92711313
5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739761
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 20963749
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 3232315

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 20963781) is 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is Cc1cccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NQXONZNXAHHASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-4-2-5-13(8-12)10-20-18(22)16-17(23-11-21-16)14-6-3-7-15(19)9-14/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).