5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide

C18H15ClN2O3 — CID 20963785

IUPAC5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c1-23-15-8-3-2-5-13(15)10-20-18(22)16-17(24-11-21-16)12-6-4-7-14(19)9-12/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyFJVLFVPQOCRNCV-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.93
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide

5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 20963785) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID20963785
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c1-23-15-8-3-2-5-13(15)10-20-18(22)16-17(24-11-21-16)12-6-4-7-14(19)9-12/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyFJVLFVPQOCRNCV-UHFFFAOYSA-N
XLogP3.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
N-[(2-ethoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963591
5-(3-chlorophenyl)-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 92711313
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 9404832
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
N-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963589
5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739761
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157157

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 20963785) is 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is COc1ccccc1CNC(=O)c1ncoc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FJVLFVPQOCRNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-15-8-3-2-5-13(15)10-20-18(22)16-17(24-11-21-16)12-6-4-7-14(19)9-12/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).