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

C13H14N2O4 — CID 110860667

IUPACN-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2oncc2C)cc1OC
InChIInChI=1S/C13H14N2O4/c1-8-7-14-19-12(8)13(16)15-9-4-5-10(17-2)11(6-9)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyUDNKZAYJHFTTPM-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.25
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 110860667) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID110860667
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2oncc2C)cc1OC
InChIInChI=1S/C13H14N2O4/c1-8-7-14-19-12(8)13(16)15-9-4-5-10(17-2)11(6-9)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyUDNKZAYJHFTTPM-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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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110860648
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684744
4-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 66335411
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 66335294
N-(2-amino-5-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66334365
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 110860667) is N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide is COc1ccc(NC(=O)c2oncc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is UDNKZAYJHFTTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-7-14-19-12(8)13(16)15-9-4-5-10(17-2)11(6-9)18-3/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-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)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110860667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).