1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C15H17ClFN3O — CID 120863695

IUPAC1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESC/C(=C/c1nc(C2(N)CCC2)no1)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H16FN3O.ClH/c1-10(11-3-5-12(16)6-4-11)9-13-18-14(19-20-13)15(17)7-2-8-15;/h3-6,9H,2,7-8,17H2,1H3;1H/b10-9-;
InChIKeyWYCKHRSCCPNAIY-KVVVOXFISA-N
MW309.77 g/mol
LogP3.53
Rot. Bonds3

About 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120863695) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120863695
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESC/C(=C/c1nc(C2(N)CCC2)no1)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H16FN3O.ClH/c1-10(11-3-5-12(16)6-4-11)9-13-18-14(19-20-13)15(17)7-2-8-15;/h3-6,9H,2,7-8,17H2,1H3;1H/b10-9-;
InChIKeyWYCKHRSCCPNAIY-KVVVOXFISA-N
XLogP3.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937
1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861659
5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957129
1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854979
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-[2-(4-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861354
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861806
1-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858594
1-[5-[(E)-2-(2-bromophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858673
4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide
CID 120860450

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120863695) is 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is C/C(=C/c1nc(C2(N)CCC2)no1)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is WYCKHRSCCPNAIY-KVVVOXFISA-N. The full InChI is InChI=1S/C15H16FN3O.ClH/c1-10(11-3-5-12(16)6-4-11)9-13-18-14(19-20-13)15(17)7-2-8-15;/h3-6,9H,2,7-8,17H2,1H3;1H/b10-9-;.
What are the key properties of 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 309.77 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).