1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C15H16ClF2N3O — CID 120860689

IUPAC1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CC3c3ccc(F)c(F)c3)n2)CCC1
InChIInChI=1S/C15H15F2N3O.ClH/c16-11-3-2-8(6-12(11)17)9-7-10(9)13-19-14(20-21-13)15(18)4-1-5-15;/h2-3,6,9-10H,1,4-5,7,18H2;1H
InChIKeyWFRFDUOTOVNTGQ-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.38
Rot. Bonds3

About 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860689) has the molecular formula C15H16ClF2N3O and a molecular weight of 327.76 g/mol. Its IUPAC name is 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860689
Molecular FormulaC15H16ClF2N3O
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CC3c3ccc(F)c(F)c3)n2)CCC1
InChIInChI=1S/C15H15F2N3O.ClH/c16-11-3-2-8(6-12(11)17)9-7-10(9)13-19-14(20-21-13)15(18)4-1-5-15;/h2-3,6,9-10H,1,4-5,7,18H2;1H
InChIKeyWFRFDUOTOVNTGQ-UHFFFAOYSA-N
XLogP3.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864773
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864774
1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851804
1-[5-[2-(2,3-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850931
1-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861103
1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860856
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(2-cyclohexylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862372
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide
CID 120863376
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 120860826

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860689) is 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(C3CC3c3ccc(F)c(F)c3)n2)CCC1.
What is the InChIKey of 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is WFRFDUOTOVNTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O.ClH/c16-11-3-2-8(6-12(11)17)9-7-10(9)13-19-14(20-21-13)15(18)4-1-5-15;/h2-3,6,9-10H,1,4-5,7,18H2;1H.
What are the key properties of 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 327.76 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).