N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

C17H28N4O2 — CID 28960901

IUPACN-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCC(C)c1noc([C@@H]2C[C@H](NC(=O)C3CCCCC3)CN2C)n1
InChIInChI=1S/C17H28N4O2/c1-11(2)15-19-17(23-20-15)14-9-13(10-21(14)3)18-16(22)12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyJAOWCHFRMFTXAT-KBPBESRZSA-N
MW320.44 g/mol
LogP2.63
Rot. Bonds4

About N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 28960901) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
PubChem CID28960901
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCC(C)c1noc([C@@H]2C[C@H](NC(=O)C3CCCCC3)CN2C)n1
InChIInChI=1S/C17H28N4O2/c1-11(2)15-19-17(23-20-15)14-9-13(10-21(14)3)18-16(22)12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyJAOWCHFRMFTXAT-KBPBESRZSA-N
XLogP2.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (CID 28960901) is N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is CC(C)c1noc([C@@H]2C[C@H](NC(=O)C3CCCCC3)CN2C)n1.
What is the InChIKey of N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The InChIKey is JAOWCHFRMFTXAT-KBPBESRZSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11(2)15-19-17(23-20-15)14-9-13(10-21(14)3)18-16(22)12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 28960901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).