(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one

C17H19FN2O2 — CID 97241573

IUPAC(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one
SMILESCc1noc(C)c1[C@H](C)CC(=O)N1CCc2cccc(F)c21
InChIInChI=1S/C17H19FN2O2/c1-10(16-11(2)19-22-12(16)3)9-15(21)20-8-7-13-5-4-6-14(18)17(13)20/h4-6,10H,7-9H2,1-3H3/t10-/m1/s1
InChIKeyVPEMQGCVTINKMI-SNVBAGLBSA-N
MW302.35 g/mol
LogP3.51
Rot. Bonds3

About (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one

(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 97241573) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID97241573
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one
SMILESCc1noc(C)c1[C@H](C)CC(=O)N1CCc2cccc(F)c21
InChIInChI=1S/C17H19FN2O2/c1-10(16-11(2)19-22-12(16)3)9-15(21)20-8-7-13-5-4-6-14(18)17(13)20/h4-6,10H,7-9H2,1-3H3/t10-/m1/s1
InChIKeyVPEMQGCVTINKMI-SNVBAGLBSA-N
XLogP3.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 136517567
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 136534661
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-fluorobenzoic acid
CID 79241609
1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 110725149
2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 110743982
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone
CID 134052350
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid
CID 120536908
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 109379753
[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone
CID 110743992

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one (CID 97241573) is (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one is Cc1noc(C)c1[C@H](C)CC(=O)N1CCc2cccc(F)c21.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is VPEMQGCVTINKMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-10(16-11(2)19-22-12(16)3)9-15(21)20-8-7-13-5-4-6-14(18)17(13)20/h4-6,10H,7-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 302.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 97241573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).