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

C15H15Cl2N3O — CID 120864774

IUPAC1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CC3c3cc(Cl)cc(Cl)c3)n2)CCC1
InChIInChI=1S/C15H15Cl2N3O/c16-9-4-8(5-10(17)6-9)11-7-12(11)13-19-14(20-21-13)15(18)2-1-3-15/h4-6,11-12H,1-3,7,18H2
InChIKeyDOKNRPXCGOIWQT-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.99
Rot. Bonds3

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

1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120864774) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120864774
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CC3c3cc(Cl)cc(Cl)c3)n2)CCC1
InChIInChI=1S/C15H15Cl2N3O/c16-9-4-8(5-10(17)6-9)11-7-12(11)13-19-14(20-21-13)15(18)2-1-3-15/h4-6,11-12H,1-3,7,18H2
InChIKeyDOKNRPXCGOIWQT-UHFFFAOYSA-N
XLogP3.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864773
1-[5-[2-(3,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860689
1-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861103
1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851804
1-[5-(2-cyclohexylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862372
1-[5-[2-(2,3-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850931
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857455
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[5-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856007
5-[2-(3,5-dichlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956221
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120864774) is 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(C3CC3c3cc(Cl)cc(Cl)c3)n2)CCC1.
What is the InChIKey of 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is DOKNRPXCGOIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c16-9-4-8(5-10(17)6-9)11-7-12(11)13-19-14(20-21-13)15(18)2-1-3-15/h4-6,11-12H,1-3,7,18H2.
What are the key properties of 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 324.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120864774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).