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

C22H23FN4O2 — CID 95104313

IUPAC2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C22H23FN4O2/c1-15-5-4-6-18(13-15)24-20(28)14-27-12-3-2-7-19(27)22-25-21(26-29-22)16-8-10-17(23)11-9-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyPJJXCDDURQOSHM-IBGZPJMESA-N
MW394.45 g/mol
LogP4.35
Rot. Bonds5

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

2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 95104313) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID95104313
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C22H23FN4O2/c1-15-5-4-6-18(13-15)24-20(28)14-27-12-3-2-7-19(27)22-25-21(26-29-22)16-8-10-17(23)11-9-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyPJJXCDDURQOSHM-IBGZPJMESA-N
XLogP4.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 95104324
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95104326
N-cyclohexyl-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53177876
N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104314
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920
(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 95057715
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
(2R)-N-(2,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301895
N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104334
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide (CID 95104313) is 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is PJJXCDDURQOSHM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-5-4-6-18(13-15)24-20(28)14-27-12-3-2-7-19(27)22-25-21(26-29-22)16-8-10-17(23)11-9-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,24,28)/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 95104313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).