(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

C16H14N2O4 — CID 2377913

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H14N2O4/c1-9-13(10(2)22-18-9)8-21-16(20)12-7-15(19)17-14-6-4-3-5-11(12)14/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyGSYDZTQOXJWLIB-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.49
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2377913) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2377913
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H14N2O4/c1-9-13(10(2)22-18-9)8-21-16(20)12-7-15(19)17-14-6-4-3-5-11(12)14/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyGSYDZTQOXJWLIB-UHFFFAOYSA-N
XLogP2.49
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 2377913) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is Cc1noc(C)c1COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is GSYDZTQOXJWLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-13(10(2)22-18-9)8-21-16(20)12-7-15(19)17-14-6-4-3-5-11(12)14/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2377913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).