N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine

C14H23N3O — CID 47025097

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nc(C2CC2)no1)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-17(12-6-4-3-5-7-12)10-13-15-14(16-18-13)11-8-9-11/h11-12H,2-10H2,1H3
InChIKeyGXZVIIJFSVIBTO-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.10
Rot. Bonds5

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine (PubChem CID 47025097) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
PubChem CID47025097
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nc(C2CC2)no1)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-17(12-6-4-3-5-7-12)10-13-15-14(16-18-13)11-8-9-11/h11-12H,2-10H2,1H3
InChIKeyGXZVIIJFSVIBTO-UHFFFAOYSA-N
XLogP3.10
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine
CID 129345216
2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 97246188
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
CID 71937266
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 86923328
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
CID 47027367
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
CID 51081840
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline
CID 75415876
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine (CID 47025097) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine is CCN(Cc1nc(C2CC2)no1)C1CCCCC1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine?
The InChIKey is GXZVIIJFSVIBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-17(12-6-4-3-5-7-12)10-13-15-14(16-18-13)11-8-9-11/h11-12H,2-10H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine has a molecular weight of 249.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 47025097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).