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

C17H14N2O3 — CID 1093730

IUPACN-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C17H14N2O3/c1-21-14-9-7-13(8-10-14)18-17(20)15-11-16(22-19-15)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)
InChIKeyKDWYGVPZBFLIAF-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.60
Rot. Bonds4

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

N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 1093730) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID1093730
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C17H14N2O3/c1-21-14-9-7-13(8-10-14)18-17(20)15-11-16(22-19-15)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)
InChIKeyKDWYGVPZBFLIAF-UHFFFAOYSA-N
XLogP3.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.60
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-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 1093730) is N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KDWYGVPZBFLIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-14-9-7-13(8-10-14)18-17(20)15-11-16(22-19-15)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.60, 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-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).