(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C21H26N4O3 — CID 92723646

IUPAC(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(N3C[C@@H](C(=O)NC4CCCCCC4)CC3=O)c2)no1
InChIInChI=1S/C21H26N4O3/c1-14-22-20(24-28-14)15-7-6-10-18(11-15)25-13-16(12-19(25)26)21(27)23-17-8-4-2-3-5-9-17/h6-7,10-11,16-17H,2-5,8-9,12-13H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyBLTHESGKBBFEBL-INIZCTEOSA-N
MW382.46 g/mol
LogP3.24
Rot. Bonds4

About (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92723646) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92723646
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(N3C[C@@H](C(=O)NC4CCCCCC4)CC3=O)c2)no1
InChIInChI=1S/C21H26N4O3/c1-14-22-20(24-28-14)15-7-6-10-18(11-15)25-13-16(12-19(25)26)21(27)23-17-8-4-2-3-5-9-17/h6-7,10-11,16-17H,2-5,8-9,12-13H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyBLTHESGKBBFEBL-INIZCTEOSA-N
XLogP3.24
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321736
N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 46321765
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
(3R)-N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746662
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46321739
(3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723644
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321683
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168662883

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92723646) is (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(-c2cccc(N3C[C@@H](C(=O)NC4CCCCCC4)CC3=O)c2)no1.
What is the InChIKey of (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BLTHESGKBBFEBL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-22-20(24-28-14)15-7-6-10-18(11-15)25-13-16(12-19(25)26)21(27)23-17-8-4-2-3-5-9-17/h6-7,10-11,16-17H,2-5,8-9,12-13H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92723646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).