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

C14H16N2O4 — CID 1245318

IUPACN-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C14H16N2O4/c1-8-13(9(2)20-16-8)14(17)15-10-5-6-11(18-3)12(7-10)19-4/h5-7H,1-4H3,(H,15,17)
InChIKeyWBOUDEWGIDVQLS-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.56
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1245318) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1245318
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C14H16N2O4/c1-8-13(9(2)20-16-8)14(17)15-10-5-6-11(18-3)12(7-10)19-4/h5-7H,1-4H3,(H,15,17)
InChIKeyWBOUDEWGIDVQLS-UHFFFAOYSA-N
XLogP2.56
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39135194
3-(3-bromophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805848
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1245318) is N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)noc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WBOUDEWGIDVQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-13(9(2)20-16-8)14(17)15-10-5-6-11(18-3)12(7-10)19-4/h5-7H,1-4H3,(H,15,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.56, 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)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1245318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).