(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C21H21FN4O2 — CID 7295920

IUPAC(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1cccc(-c2noc([C@@H]3CCCCN3C(=O)Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C21H21FN4O2/c1-14-6-4-7-15(12-14)19-24-20(28-25-19)18-10-2-3-11-26(18)21(27)23-17-9-5-8-16(22)13-17/h4-9,12-13,18H,2-3,10-11H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyPZUJFCDLALTGKS-SFHVURJKSA-N
MW380.42 g/mol
LogP4.94
Rot. Bonds3

About (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 7295920) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID7295920
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1cccc(-c2noc([C@@H]3CCCCN3C(=O)Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C21H21FN4O2/c1-14-6-4-7-15(12-14)19-24-20(28-25-19)18-10-2-3-11-26(18)21(27)23-17-9-5-8-16(22)13-17/h4-9,12-13,18H,2-3,10-11H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyPZUJFCDLALTGKS-SFHVURJKSA-N
XLogP4.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 95057715
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 5001867
(2R)-N-(2,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301895
N-(3,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 42765379
(2S)-N-(4-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7493268
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 5009552
(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7288640
(2S)-N-(3,4-dimethylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7271519
(2S)-N-(4-cyanophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7296755

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 7295920) is (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is Cc1cccc(-c2noc([C@@H]3CCCCN3C(=O)Nc3cccc(F)c3)n2)c1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is PZUJFCDLALTGKS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-6-4-7-15(12-14)19-24-20(28-25-19)18-10-2-3-11-26(18)21(27)23-17-9-5-8-16(22)13-17/h4-9,12-13,18H,2-3,10-11H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 7295920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).