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

C18H15ClN2O3 — CID 16762080

IUPACN-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)on2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-15-7-5-13(6-8-15)16-10-17(24-21-16)18(22)20-11-12-3-2-4-14(19)9-12/h2-10H,11H2,1H3,(H,20,22)
InChIKeyCCHVEALUPCDSRL-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.93
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 16762080) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID16762080
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)on2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-15-7-5-13(6-8-15)16-10-17(24-21-16)18(22)20-11-12-3-2-4-14(19)9-12/h2-10H,11H2,1H3,(H,20,22)
InChIKeyCCHVEALUPCDSRL-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 16762080) is N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)on2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is CCHVEALUPCDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-15-7-5-13(6-8-15)16-10-17(24-21-16)18(22)20-11-12-3-2-4-14(19)9-12/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-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 N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16762080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).