trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide

C17H22N4O2 — CID 129429942

IUPACtrans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESC[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H22N4O2/c1-11(19-14-10-6-5-9-13(14)15(18)22)16-20-21-17(23-16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,19H,5-6,9-10H2,1H3,(H2,18,22)/t11-,13+,14+/m0/s1
InChIKeyQHLHNEPVBRCYEC-IACUBPJLSA-N
MW314.39 g/mol
LogP2.43
Rot. Bonds5

About trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide

trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide (PubChem CID 129429942) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
PubChem CID129429942
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Nametrans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESC[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H22N4O2/c1-11(19-14-10-6-5-9-13(14)15(18)22)16-20-21-17(23-16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,19H,5-6,9-10H2,1H3,(H2,18,22)/t11-,13+,14+/m0/s1
InChIKeyQHLHNEPVBRCYEC-IACUBPJLSA-N
XLogP2.43
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide 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 trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide (CID 129429942) is trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide is C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
The InChIKey is QHLHNEPVBRCYEC-IACUBPJLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(19-14-10-6-5-9-13(14)15(18)22)16-20-21-17(23-16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,19H,5-6,9-10H2,1H3,(H2,18,22)/t11-,13+,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 129429942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).