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

C15H18FN3O — CID 120863796

IUPAC1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)(c1nc(C2(N)CCC2)no1)c1ccccc1F
InChIInChI=1S/C15H18FN3O/c1-14(2,10-6-3-4-7-11(10)16)13-18-12(19-20-13)15(17)8-5-9-15/h3-4,6-7H,5,8-9,17H2,1-2H3
InChIKeyFXAJOUMGFRIHLQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.87
Rot. Bonds3

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

1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120863796) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120863796
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)(c1nc(C2(N)CCC2)no1)c1ccccc1F
InChIInChI=1S/C15H18FN3O/c1-14(2,10-6-3-4-7-11(10)16)13-18-12(19-20-13)15(17)8-5-9-15/h3-4,6-7H,5,8-9,17H2,1-2H3
InChIKeyFXAJOUMGFRIHLQ-UHFFFAOYSA-N
XLogP2.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(2-methylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855344
1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863922
1-[5-[2-(4-ethylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850872
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
1-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859779
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-[2-[2-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861553
1-[5-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114105914
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120864112
1-[5-[1-(2-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853344
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104632814

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120863796) is 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC(C)(c1nc(C2(N)CCC2)no1)c1ccccc1F.
What is the InChIKey of 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is FXAJOUMGFRIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-14(2,10-6-3-4-7-11(10)16)13-18-12(19-20-13)15(17)8-5-9-15/h3-4,6-7H,5,8-9,17H2,1-2H3.
What are the key properties of 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120863796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).