[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

C30H26Cl2FN3O2 — CID 23884017

IUPAC[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(F)ccc21
InChIInChI=1S/C30H26Cl2FN3O2/c1-19-27(28(34-38-19)23-7-2-3-8-25(23)32)29(37)36-18-30(24-16-22(33)9-10-26(24)36)11-13-35(14-12-30)17-20-5-4-6-21(31)15-20/h2-10,15-16H,11-14,17-18H2,1H3
InChIKeyBKOCFYJSHHNVKZ-UHFFFAOYSA-N
MW550.46 g/mol
LogP7.29
Rot. Bonds4

About [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (PubChem CID 23884017) has the molecular formula C30H26Cl2FN3O2 and a molecular weight of 550.46 g/mol. Its IUPAC name is [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
PubChem CID23884017
Molecular FormulaC30H26Cl2FN3O2
Molecular Weight550.46 g/mol
Exact Mass549.14
IUPAC Name[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(F)ccc21
InChIInChI=1S/C30H26Cl2FN3O2/c1-19-27(28(34-38-19)23-7-2-3-8-25(23)32)29(37)36-18-30(24-16-22(33)9-10-26(24)36)11-13-35(14-12-30)17-20-5-4-6-21(31)15-20/h2-10,15-16H,11-14,17-18H2,1H3
InChIKeyBKOCFYJSHHNVKZ-UHFFFAOYSA-N
XLogP7.29
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.46
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone with MolForge

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Related Compounds

4-[[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzonitrile
CID 23941305
(3,5-dimethyl-1,2-oxazol-4-yl)-[5-fluoro-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23935569
methyl 4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23790401
[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23937588
(4-tert-butylphenyl)-[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23989041
[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23963856
1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23993427
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854299
3-(2-chlorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 78864773
4-[[1-(2,4-dichlorobenzoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzonitrile
CID 23962082

Frequently Asked Questions

What is the IUPAC name of [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (CID 23884017) is [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(F)ccc21.
What is the InChIKey of [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The InChIKey is BKOCFYJSHHNVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2FN3O2/c1-19-27(28(34-38-19)23-7-2-3-8-25(23)32)29(37)36-18-30(24-16-22(33)9-10-26(24)36)11-13-35(14-12-30)17-20-5-4-6-21(31)15-20/h2-10,15-16H,11-14,17-18H2,1H3.
What are the key properties of [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone has a molecular weight of 550.46 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 23884017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).