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

C16H17F2N3O — CID 120851804

IUPAC1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3CC3c3ccc(F)cc3F)n2)CCCC1
InChIInChI=1S/C16H17F2N3O/c17-9-3-4-10(13(18)7-9)11-8-12(11)14-20-15(21-22-14)16(19)5-1-2-6-16/h3-4,7,11-12H,1-2,5-6,8,19H2
InChIKeyFWEGMUWJGSMODU-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.35
Rot. Bonds3

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

1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851804) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851804
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3CC3c3ccc(F)cc3F)n2)CCCC1
InChIInChI=1S/C16H17F2N3O/c17-9-3-4-10(13(18)7-9)11-8-12(11)14-20-15(21-22-14)16(19)5-1-2-6-16/h3-4,7,11-12H,1-2,5-6,8,19H2
InChIKeyFWEGMUWJGSMODU-UHFFFAOYSA-N
XLogP3.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(2,3-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850931
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-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
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
3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 99838182
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351714
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-[5-[2-(3-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856429

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851804) is 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(C3CC3c3ccc(F)cc3F)n2)CCCC1.
What is the InChIKey of 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is FWEGMUWJGSMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-9-3-4-10(13(18)7-9)11-8-12(11)14-20-15(21-22-14)16(19)5-1-2-6-16/h3-4,7,11-12H,1-2,5-6,8,19H2.
What are the key properties of 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 305.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120851804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).