1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid

C15H12N2O4 — CID 62039037

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid
SMILESCc1cc(Cn2c(=O)cc(C(=O)O)c3ccccc32)no1
InChIInChI=1S/C15H12N2O4/c1-9-6-10(16-21-9)8-17-13-5-3-2-4-11(13)12(15(19)20)7-14(17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVVRIRXSNRHYHKK-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.04
Rot. Bonds3

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid (PubChem CID 62039037) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid
PubChem CID62039037
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid
SMILESCc1cc(Cn2c(=O)cc(C(=O)O)c3ccccc32)no1
InChIInChI=1S/C15H12N2O4/c1-9-6-10(16-21-9)8-17-13-5-3-2-4-11(13)12(15(19)20)7-14(17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVVRIRXSNRHYHKK-UHFFFAOYSA-N
XLogP2.04
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid (CID 62039037) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid is Cc1cc(Cn2c(=O)cc(C(=O)O)c3ccccc32)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid?
The InChIKey is VVRIRXSNRHYHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-9-6-10(16-21-9)8-17-13-5-3-2-4-11(13)12(15(19)20)7-14(17)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 62039037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).