3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid

C19H17N3O5 — CID 162935431

IUPAC3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)c2C(C)NC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H17N3O5/c1-11(21-18(23)14-5-3-4-10-20-14)15-16(22-27-17(15)19(24)25)12-6-8-13(26-2)9-7-12/h3-11H,1-2H3,(H,21,23)(H,24,25)
InChIKeyGOLJKUAVHUXEBN-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.93
Rot. Bonds6

About 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid

3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 162935431) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID162935431
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)c2C(C)NC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H17N3O5/c1-11(21-18(23)14-5-3-4-10-20-14)15-16(22-27-17(15)19(24)25)12-6-8-13(26-2)9-7-12/h3-11H,1-2H3,(H,21,23)(H,24,25)
InChIKeyGOLJKUAVHUXEBN-UHFFFAOYSA-N
XLogP2.93
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368130
4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 162815951
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
3-(4-chlorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368145
3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 163002409
3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368239
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
3-(4-fluorophenyl)-5-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162798900
3-(4-fluorophenyl)-4-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368173
3-(4-chlorophenyl)-4-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 162798289
3-(4-chlorophenyl)-4-[(1R)-1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368152
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid (CID 162935431) is 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid is COc1ccc(-c2noc(C(=O)O)c2C(C)NC(=O)c2ccccn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is GOLJKUAVHUXEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-11(21-18(23)14-5-3-4-10-20-14)15-16(22-27-17(15)19(24)25)12-6-8-13(26-2)9-7-12/h3-11H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 367.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 162935431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).