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

C20H26N4O2 — CID 51137817

IUPAC(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(-c2nnc([C@H]3CCN(C(=O)NC4CCCCC4)C3)o2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-7-9-15(10-8-14)18-22-23-19(26-18)16-11-12-24(13-16)20(25)21-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyQLSXDLSZRQLKTC-INIZCTEOSA-N
MW354.45 g/mol
LogP3.88
Rot. Bonds3

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

(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 51137817) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID51137817
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(-c2nnc([C@H]3CCN(C(=O)NC4CCCCC4)C3)o2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-7-9-15(10-8-14)18-22-23-19(26-18)16-11-12-24(13-16)20(25)21-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyQLSXDLSZRQLKTC-INIZCTEOSA-N
XLogP3.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide (CID 51137817) is (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide is Cc1ccc(-c2nnc([C@H]3CCN(C(=O)NC4CCCCC4)C3)o2)cc1.
What is the InChIKey of (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is QLSXDLSZRQLKTC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-7-9-15(10-8-14)18-22-23-19(26-18)16-11-12-24(13-16)20(25)21-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-13H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide?
(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51137817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).