(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C21H20ClN3O2 — CID 71654170

IUPAC(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C21H20ClN3O2/c1-14-17(10-5-11-18(14)22)21(26)25-12-6-9-16(13-25)20-24-23-19(27-20)15-7-3-2-4-8-15/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3/t16-/m0/s1
InChIKeyGHFGNOXJMIKLPM-INIZCTEOSA-N
MW381.86 g/mol
LogP4.72
Rot. Bonds3

About (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 71654170) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID71654170
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C21H20ClN3O2/c1-14-17(10-5-11-18(14)22)21(26)25-12-6-9-16(13-25)20-24-23-19(27-20)15-7-3-2-4-8-15/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3/t16-/m0/s1
InChIKeyGHFGNOXJMIKLPM-INIZCTEOSA-N
XLogP4.72
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
furan-3-yl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 46392997
[4-(dimethylamino)phenyl]-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 50835044
(2,4-dichlorophenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069364
1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963730
(2-iodophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069157
furan-2-yl-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132651795
1H-indol-2-yl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93062533
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849840
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 71654170) is (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1c(Cl)cccc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GHFGNOXJMIKLPM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-17(10-5-11-18(14)22)21(26)25-12-6-9-16(13-25)20-24-23-19(27-20)15-7-3-2-4-8-15/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 381.86 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71654170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).