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

C19H18N2O3 — CID 5017077

IUPACN-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)no2)cc1
InChIInChI=1S/C19H18N2O3/c1-12-4-7-15(10-13(12)2)20-19(22)17-11-18(24-21-17)14-5-8-16(23-3)9-6-14/h4-11H,1-3H3,(H,20,22)
InChIKeyOBOIGDXCGGWOCQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 5017077) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID5017077
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)no2)cc1
InChIInChI=1S/C19H18N2O3/c1-12-4-7-15(10-13(12)2)20-19(22)17-11-18(24-21-17)14-5-8-16(23-3)9-6-14/h4-11H,1-3H3,(H,20,22)
InChIKeyOBOIGDXCGGWOCQ-UHFFFAOYSA-N
XLogP4.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 5017077) is N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)no2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OBOIGDXCGGWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-4-7-15(10-13(12)2)20-19(22)17-11-18(24-21-17)14-5-8-16(23-3)9-6-14/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5017077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).