(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one

C25H19FN2O3 — CID 95095311

IUPAC(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
SMILESCc1oc(-c2ccccc2)nc1CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C25H19FN2O3/c1-16-21(27-23(31-16)17-8-3-2-4-9-17)15-28-22-13-6-5-12-20(22)25(30,24(28)29)18-10-7-11-19(26)14-18/h2-14,30H,15H2,1H3/t25-/m0/s1
InChIKeyNZFXJXYYCGAEDY-VWLOTQADSA-N
MW414.44 g/mol
LogP4.57
Rot. Bonds4

About (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one

(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one (PubChem CID 95095311) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
PubChem CID95095311
Molecular FormulaC25H19FN2O3
Molecular Weight414.44 g/mol
Exact Mass414.14
IUPAC Name(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
SMILESCc1oc(-c2ccccc2)nc1CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C25H19FN2O3/c1-16-21(27-23(31-16)17-8-3-2-4-9-17)15-28-22-13-6-5-12-20(22)25(30,24(28)29)18-10-7-11-19(26)14-18/h2-14,30H,15H2,1H3/t25-/m0/s1
InChIKeyNZFXJXYYCGAEDY-VWLOTQADSA-N
XLogP4.57
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194
(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
CID 95095417
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 95095383
3,3-dimethyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592799
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502572
methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 95095338
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623558
3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837372
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one?
The IUPAC name of (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one (CID 95095311) is (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one is Cc1oc(-c2ccccc2)nc1CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one?
The InChIKey is NZFXJXYYCGAEDY-VWLOTQADSA-N. The full InChI is InChI=1S/C25H19FN2O3/c1-16-21(27-23(31-16)17-8-3-2-4-9-17)15-28-22-13-6-5-12-20(22)25(30,24(28)29)18-10-7-11-19(26)14-18/h2-14,30H,15H2,1H3/t25-/m0/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one?
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one has a molecular weight of 414.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one is sourced from PubChem (CID 95095311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).