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

C19H19N3O4 — CID 122175472

IUPAC2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3cccnc3)c(C)o2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-12-17(18(23)21-11-13-5-4-8-20-10-13)22-19(26-12)14-6-7-15(24-2)16(9-14)25-3/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyUFPJNPRWDKDJMC-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.99
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 122175472) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID122175472
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3cccnc3)c(C)o2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-12-17(18(23)21-11-13-5-4-8-20-10-13)22-19(26-12)14-6-7-15(24-2)16(9-14)25-3/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyUFPJNPRWDKDJMC-UHFFFAOYSA-N
XLogP2.99
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175341
6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807721
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 22515232
5-methyl-2-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 122175359
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-(pyridin-3-ylmethylcarbamoyl)-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
CID 174982835
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 122175472) is 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCc3cccnc3)c(C)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UFPJNPRWDKDJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-17(18(23)21-11-13-5-4-8-20-10-13)22-19(26-12)14-6-7-15(24-2)16(9-14)25-3/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122175472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).