5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine

C15H19N3O — CID 15919005

IUPAC5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NC3CCCCC3)o2)cc1
InChIInChI=1S/C15H19N3O/c1-3-7-12(8-4-1)11-14-17-18-15(19-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)
InChIKeyJRMADLCBDDDCNV-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.40
Rot. Bonds4

About 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine

5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine (PubChem CID 15919005) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine
PubChem CID15919005
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NC3CCCCC3)o2)cc1
InChIInChI=1S/C15H19N3O/c1-3-7-12(8-4-1)11-14-17-18-15(19-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)
InChIKeyJRMADLCBDDDCNV-UHFFFAOYSA-N
XLogP3.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 136576210
5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 136576209
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 106966826
N-cyclopentyl-5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 110456120
N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167830409
N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 166241938
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541355
N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine
CID 24938624
2-benzyl-5-(bromomethyl)-1,3,4-oxadiazole
CID 89104418
5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 167988505

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine (CID 15919005) is 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine is c1ccc(Cc2nnc(NC3CCCCC3)o2)cc1.
What is the InChIKey of 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
The InChIKey is JRMADLCBDDDCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-7-12(8-4-1)11-14-17-18-15(19-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18).
What are the key properties of 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15919005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).