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

C17H15N3O4 — CID 49016837

IUPAC5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3)no2)c1
InChIInChI=1S/C17H15N3O4/c1-22-12-3-4-15(23-2)13(9-12)16-10-14(20-24-16)17(21)19-11-5-7-18-8-6-11/h3-10H,1-2H3,(H,18,19,21)
InChIKeyPPLWBZIDRHQSDZ-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.01
Rot. Bonds5

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

5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 49016837) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID49016837
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3)no2)c1
InChIInChI=1S/C17H15N3O4/c1-22-12-3-4-15(23-2)13(9-12)16-10-14(20-24-16)17(21)19-11-5-7-18-8-6-11/h3-10H,1-2H3,(H,18,19,21)
InChIKeyPPLWBZIDRHQSDZ-UHFFFAOYSA-N
XLogP3.01
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48994582
5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 48981792
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 49081050
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789
(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
N-(1-cyclopropyl-2-methoxyethyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 126791281
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 49016837) is 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3)no2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PPLWBZIDRHQSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-22-12-3-4-15(23-2)13(9-12)16-10-14(20-24-16)17(21)19-11-5-7-18-8-6-11/h3-10H,1-2H3,(H,18,19,21).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 49016837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).