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

C12H12N2O3 — CID 5113641

IUPACN-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C12H12N2O3/c1-8-7-11(14-17-8)12(15)13-9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,15)
InChIKeyCXMVISKUGWXAFS-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.24
Rot. Bonds3

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

N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 5113641) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID5113641
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C12H12N2O3/c1-8-7-11(14-17-8)12(15)13-9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,15)
InChIKeyCXMVISKUGWXAFS-UHFFFAOYSA-N
XLogP2.24
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.24
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-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 5113641) is N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)on2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CXMVISKUGWXAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-7-11(14-17-8)12(15)13-9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5113641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).