1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H26N4O — CID 120851617

IUPAC1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCN(CC)C(c1ccccc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H26N4O/c1-3-22(4-2)15(14-10-6-5-7-11-14)16-20-17(21-23-16)18(19)12-8-9-13-18/h5-7,10-11,15H,3-4,8-9,12-13,19H2,1-2H3
InChIKeyGJHGUQICIXPMHA-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.23
Rot. Bonds6

About 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851617) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851617
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCN(CC)C(c1ccccc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H26N4O/c1-3-22(4-2)15(14-10-6-5-7-11-14)16-20-17(21-23-16)18(19)12-8-9-13-18/h5-7,10-11,15H,3-4,8-9,12-13,19H2,1-2H3
InChIKeyGJHGUQICIXPMHA-UHFFFAOYSA-N
XLogP3.23
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[dimethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855328
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide;hydrochloride
CID 120855395
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide
CID 120863026
1-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853877
1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853454
1-[5-[1-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850813
1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863922
1-[5-[(2,4-dimethylphenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861473
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
1-[5-(1-benzylsulfanyl-2-methylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859992
1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851660
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077

Frequently Asked Questions

What is the IUPAC name of 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851617) is 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CCN(CC)C(c1ccccc1)c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is GJHGUQICIXPMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-22(4-2)15(14-10-6-5-7-11-14)16-20-17(21-23-16)18(19)12-8-9-13-18/h5-7,10-11,15H,3-4,8-9,12-13,19H2,1-2H3.
What are the key properties of 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 314.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120851617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).