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

C13H14N2O4 — CID 1246378

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-8-6-10(15-19-8)13(16)14-9-4-5-11(17-2)12(7-9)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyKFIKEYODQBPREK-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.25
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 1246378) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID1246378
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-8-6-10(15-19-8)13(16)14-9-4-5-11(17-2)12(7-9)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyKFIKEYODQBPREK-UHFFFAOYSA-N
XLogP2.25
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 1246378) is N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)on2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KFIKEYODQBPREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-6-10(15-19-8)13(16)14-9-4-5-11(17-2)12(7-9)18-3/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1246378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).