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

C15H17F2N3O — CID 61353726

IUPAC1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(-c3ccc(F)c(F)c3)n2)CCCCCC1
InChIInChI=1S/C15H17F2N3O/c16-11-6-5-10(9-12(11)17)13-19-14(20-21-13)15(18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,18H2
InChIKeyNHUGGUAEYSMIDN-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.52
Rot. Bonds2

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

1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (PubChem CID 61353726) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
PubChem CID61353726
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(-c3ccc(F)c(F)c3)n2)CCCCCC1
InChIInChI=1S/C15H17F2N3O/c16-11-6-5-10(9-12(11)17)13-19-14(20-21-13)15(18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,18H2
InChIKeyNHUGGUAEYSMIDN-UHFFFAOYSA-N
XLogP3.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352515
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856441
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide
CID 120862980
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354512
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The IUPAC name of 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (CID 61353726) is 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is NC1(c2noc(-c3ccc(F)c(F)c3)n2)CCCCCC1.
What is the InChIKey of 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The InChIKey is NHUGGUAEYSMIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c16-11-6-5-10(9-12(11)17)13-19-14(20-21-13)15(18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,18H2.
What are the key properties of 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine has a molecular weight of 293.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is sourced from PubChem (CID 61353726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).