3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid

C16H12N2O4 — CID 90425612

IUPAC3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid
SMILESCc1c(-c2ccc(-c3cocn3)cc2)ccn(C(=O)O)c1=O
InChIInChI=1S/C16H12N2O4/c1-10-13(6-7-18(15(10)19)16(20)21)11-2-4-12(5-3-11)14-8-22-9-17-14/h2-9H,1H3,(H,20,21)
InChIKeyHWBGBTLNFNWECC-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.00
Rot. Bonds2

About 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid

3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid (PubChem CID 90425612) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid
PubChem CID90425612
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid
SMILESCc1c(-c2ccc(-c3cocn3)cc2)ccn(C(=O)O)c1=O
InChIInChI=1S/C16H12N2O4/c1-10-13(6-7-18(15(10)19)16(20)21)11-2-4-12(5-3-11)14-8-22-9-17-14/h2-9H,1H3,(H,20,21)
InChIKeyHWBGBTLNFNWECC-UHFFFAOYSA-N
XLogP3.00
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid (CID 90425612) is 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid is Cc1c(-c2ccc(-c3cocn3)cc2)ccn(C(=O)O)c1=O.
What is the InChIKey of 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid?
The InChIKey is HWBGBTLNFNWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-10-13(6-7-18(15(10)19)16(20)21)11-2-4-12(5-3-11)14-8-22-9-17-14/h2-9H,1H3,(H,20,21).
What are the key properties of 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid?
3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(1,3-oxazol-4-yl)phenyl]-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 90425612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).