N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C19H16N2O4 — CID 3238813

IUPACN-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)14-4-3-5-15(10-14)20-19(23)17-11-18(25-21-17)13-6-8-16(24-2)9-7-13/h3-11H,1-2H3,(H,20,23)
InChIKeyUUXDNWJCDOCWCM-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.81
Rot. Bonds5

About N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3238813) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3238813
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)14-4-3-5-15(10-14)20-19(23)17-11-18(25-21-17)13-6-8-16(24-2)9-7-13/h3-11H,1-2H3,(H,20,23)
InChIKeyUUXDNWJCDOCWCM-UHFFFAOYSA-N
XLogP3.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3238813) is N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UUXDNWJCDOCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)14-4-3-5-15(10-14)20-19(23)17-11-18(25-21-17)13-6-8-16(24-2)9-7-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).