N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine

C17H23N3O — CID 2980153

IUPACN-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
SMILESCCN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-2-20(15-11-7-4-8-12-15)13-16-18-19-17(21-16)14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChIKeyZVNQJIHRXXYSCG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.89
Rot. Bonds5

About N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine

N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine (PubChem CID 2980153) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
PubChem CID2980153
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
SMILESCCN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-2-20(15-11-7-4-8-12-15)13-16-18-19-17(21-16)14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChIKeyZVNQJIHRXXYSCG-UHFFFAOYSA-N
XLogP3.89
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine (CID 2980153) is N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine is CCN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1.
What is the InChIKey of N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
The InChIKey is ZVNQJIHRXXYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(15-11-7-4-8-12-15)13-16-18-19-17(21-16)14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3.
What are the key properties of N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine has a molecular weight of 285.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 2980153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).