1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C17H23N3O — CID 120863922

IUPAC1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCC(CC)(c1ccccc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C17H23N3O/c1-3-16(4-2,13-9-6-5-7-10-13)15-19-14(20-21-15)17(18)11-8-12-17/h5-7,9-10H,3-4,8,11-12,18H2,1-2H3
InChIKeyOOOWIAJJHFOBQO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds5

About 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120863922) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120863922
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCC(CC)(c1ccccc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C17H23N3O/c1-3-16(4-2,13-9-6-5-7-10-13)15-19-14(20-21-15)17(18)11-8-12-17/h5-7,9-10H,3-4,8,11-12,18H2,1-2H3
InChIKeyOOOWIAJJHFOBQO-UHFFFAOYSA-N
XLogP3.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863796
1-[5-[2-(4-ethylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850872
1-[5-[2-(2-methylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855344
1-[5-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114105914
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride
CID 120856445
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea
CID 120856446
1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851617
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide
CID 120863026
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120863922) is 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CCC(CC)(c1ccccc1)c1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is OOOWIAJJHFOBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-16(4-2,13-9-6-5-7-10-13)15-19-14(20-21-15)17(18)11-8-12-17/h5-7,9-10H,3-4,8,11-12,18H2,1-2H3.
What are the key properties of 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120863922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).