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

C13H14N2O4 — CID 30402789

IUPACN-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2coc(C)n2)c1
InChIInChI=1S/C13H14N2O4/c1-8-14-11(7-19-8)13(16)15-10-6-9(17-2)4-5-12(10)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyYIRIMKIXHMRJPG-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.25
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 30402789) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID30402789
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2coc(C)n2)c1
InChIInChI=1S/C13H14N2O4/c1-8-14-11(7-19-8)13(16)15-10-6-9(17-2)4-5-12(10)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyYIRIMKIXHMRJPG-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-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726932
N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402803
2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 53195142
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195130
N-(4-ethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195131
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195133
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195140
2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726933
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402801
2-methyl-N-(2-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 30402981
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 46043474
2-{[4-(4-Methoxyphenyl)piperazin-1-YL]methyl}-N-phenyl-1,3-oxazole-4-carboxamide
CID 46055618

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 30402789) is N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2coc(C)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YIRIMKIXHMRJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-14-11(7-19-8)13(16)15-10-6-9(17-2)4-5-12(10)18-3/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-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-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 30402789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).