(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H19FN2O2 — CID 138030893

IUPAC(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2cccc(F)c2N(C(=O)c2coc(C3CCC3)n2)C1
InChIInChI=1S/C18H19FN2O2/c1-11-8-13-6-3-7-14(19)16(13)21(9-11)18(22)15-10-23-17(20-15)12-4-2-5-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyRRBSEVZBZZAYQI-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.92
Rot. Bonds2

About (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 138030893) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID138030893
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2cccc(F)c2N(C(=O)c2coc(C3CCC3)n2)C1
InChIInChI=1S/C18H19FN2O2/c1-11-8-13-6-3-7-14(19)16(13)21(9-11)18(22)15-10-23-17(20-15)12-4-2-5-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyRRBSEVZBZZAYQI-UHFFFAOYSA-N
XLogP3.92
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
(8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone
CID 139011277
3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide
CID 138030894
(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
CID 138501083
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
2-cyclobutyl-N-(2-oxo-1-pyridinyl)-1,3-oxazole-4-carboxamide
CID 166233624
2-[1-(1,3-dihydroisoindole-2-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 166314361
(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907855
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid
CID 138054920
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127895119
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 95930576

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 138030893) is (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2cccc(F)c2N(C(=O)c2coc(C3CCC3)n2)C1.
What is the InChIKey of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is RRBSEVZBZZAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-8-13-6-3-7-14(19)16(13)21(9-11)18(22)15-10-23-17(20-15)12-4-2-5-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3.
What are the key properties of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 314.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 138030893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).