5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C17H12N2O2 — CID 2786572

IUPAC5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2nc(-c3ccccc3)oc2c2ccccc21
InChIInChI=1S/C17H12N2O2/c1-19-13-10-6-5-9-12(13)15-14(17(19)20)18-16(21-15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyQMKBGKTZOLCXAP-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.35
Rot. Bonds1

About 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one

5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 2786572) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID2786572
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2nc(-c3ccccc3)oc2c2ccccc21
InChIInChI=1S/C17H12N2O2/c1-19-13-10-6-5-9-12(13)15-14(17(19)20)18-16(21-15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyQMKBGKTZOLCXAP-UHFFFAOYSA-N
XLogP3.35
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Chloromethyl)[1,3]oxazolo[4,5-c]quinolin-4(5H)-one
CID 607883
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
N-Benzyl-4-{4-[(2,3-dihydro-1H-indol-1-YL)methyl]-5-methyl-1,3-oxazol-2-YL}-N-methylbenzamide
CID 16029477
8-Chloro-2-phenyl[1,3]oxazolo[4,5-c]quinolin-4-ol
CID 387486
2-Propyloxazolo[4,5-c]quinolin-4(5H)-one
CID 608301
2-Hexyl-5H-oxazolo[4,5-c]quinolin-4-one
CID 653147
[4-(4-Methoxyphenyl)piperazin-1-yl](2-methylbenzooxazol-7-yl)methanone
CID 1510405
Quinoline, 2-(2-benzoxazolyl)-
CID 723043
6,8-Dimethyl-2-(4-methylphenyl)-5-phenyl-4,5,6,7,8,9-hexahydropyrimido[5',4':5,6]pyrido[3,4-d][1,3]oxazole-4,7,9-trione
CID 2785469
6-[2-(Dimethylamino)ethylamino]-2-phenyl-1,3-benzoxazole-4,7-dione
CID 10171873
3-(1,3-Benzoxazol-2-yl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 44255128
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[4-(4-Cyclopropanecarbonylpiperazin-1-yl)phenyl]amide
CID 52936952

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 2786572) is 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cn1c(=O)c2nc(-c3ccccc3)oc2c2ccccc21.
What is the InChIKey of 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is QMKBGKTZOLCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-19-13-10-6-5-9-12(13)15-14(17(19)20)18-16(21-15)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 276.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 2786572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).