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

C13H14N2O3 — CID 30402803

IUPACN-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1coc(C)n1
InChIInChI=1S/C13H14N2O3/c1-8-4-5-12(17-3)10(6-8)15-13(16)11-7-18-9(2)14-11/h4-7H,1-3H3,(H,15,16)
InChIKeyYGYYDLIGVYVMFO-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.55
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 30402803) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID30402803
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1coc(C)n1
InChIInChI=1S/C13H14N2O3/c1-8-4-5-12(17-3)10(6-8)15-13(16)11-7-18-9(2)14-11/h4-7H,1-3H3,(H,15,16)
InChIKeyYGYYDLIGVYVMFO-UHFFFAOYSA-N
XLogP2.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 30402803) is N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1coc(C)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YGYYDLIGVYVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-4-5-12(17-3)10(6-8)15-13(16)11-7-18-9(2)14-11/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 30402803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).