3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide

C17H17N3O3 — CID 91946159

IUPAC3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C)(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C17H17N3O3/c1-17(16(21)19-15-9-5-6-10-18-15)11-13(20-23-17)12-7-3-4-8-14(12)22-2/h3-10H,11H2,1-2H3,(H,18,19,21)
InChIKeySNZSTAXFVDJZEE-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.61
Rot. Bonds4

About 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide

3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 91946159) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID91946159
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C)(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C17H17N3O3/c1-17(16(21)19-15-9-5-6-10-18-15)11-13(20-23-17)12-7-3-4-8-14(12)22-2/h3-10H,11H2,1-2H3,(H,18,19,21)
InChIKeySNZSTAXFVDJZEE-UHFFFAOYSA-N
XLogP2.61
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 91946158
N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946145
(5S)-N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465780
3-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946169
(5R)-N-cyclopropyl-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465820
(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465787
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946284
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91954537
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
CID 97465804

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide (CID 91946159) is 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C)(C(=O)Nc2ccccn2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is SNZSTAXFVDJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-17(16(21)19-15-9-5-6-10-18-15)11-13(20-23-17)12-7-3-4-8-14(12)22-2/h3-10H,11H2,1-2H3,(H,18,19,21).
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide?
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91946159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).