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

C18H16N2O3 — CID 1093771

IUPACN-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-3-5-13(6-4-12)17-11-16(20-23-17)18(21)19-14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H,19,21)
InChIKeyZVCJWQSFQABMGN-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.91
Rot. Bonds4

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

N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093771) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093771
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-3-5-13(6-4-12)17-11-16(20-23-17)18(21)19-14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H,19,21)
InChIKeyZVCJWQSFQABMGN-UHFFFAOYSA-N
XLogP3.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 1093771) is N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZVCJWQSFQABMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-3-5-13(6-4-12)17-11-16(20-23-17)18(21)19-14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).