2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one

C13H10N2O2 — CID 10561201

IUPAC2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one
SMILESCn1oc(-c2ccc3ccccc3n2)cc1=O
InChIInChI=1S/C13H10N2O2/c1-15-13(16)8-12(17-15)11-7-6-9-4-2-3-5-10(9)14-11/h2-8H,1H3
InChIKeyYUBVOHSJGJEHCC-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.19
Rot. Bonds1

About 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one

2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one (PubChem CID 10561201) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one
PubChem CID10561201
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one
SMILESCn1oc(-c2ccc3ccccc3n2)cc1=O
InChIInChI=1S/C13H10N2O2/c1-15-13(16)8-12(17-15)11-7-6-9-4-2-3-5-10(9)14-11/h2-8H,1H3
InChIKeyYUBVOHSJGJEHCC-UHFFFAOYSA-N
XLogP2.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
4-quinolin-2-yloxadiazole
CID 18990797
2-(1,3,5-trimethylpyrazol-4-yl)quinoline
CID 123470704
2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one
CID 142684141
iridium;tris(2-phenylquinoline)
CID 122129463
trimethyl-[4-[4-(6-quinolin-2-ylnaphthalen-2-yl)phenyl]phenyl]silane
CID 171056328
2-quinolin-2-ylquinoline-3-carbonyl chloride
CID 175755817
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
2-(2,5-dimethylphenyl)quinoline
CID 1202732
ethane;2-methylsulfanylquinoline
CID 123701465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one?
The IUPAC name of 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one (CID 10561201) is 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one.
What is the SMILES notation for 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one?
The canonical SMILES for 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one is Cn1oc(-c2ccc3ccccc3n2)cc1=O.
What is the InChIKey of 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one?
The InChIKey is YUBVOHSJGJEHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-15-13(16)8-12(17-15)11-7-6-9-4-2-3-5-10(9)14-11/h2-8H,1H3.
What are the key properties of 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one?
2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one has a molecular weight of 226.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one is sourced from PubChem (CID 10561201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).