1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C14H15BrFN3O — CID 61352515

IUPAC1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(-c3cc(Br)ccc3F)n2)CCCCC1
InChIInChI=1S/C14H15BrFN3O/c15-9-4-5-11(16)10(8-9)12-18-13(19-20-12)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2
InChIKeyRQYOEDSQNBYGQV-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.76
Rot. Bonds2

About 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61352515) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61352515
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(-c3cc(Br)ccc3F)n2)CCCCC1
InChIInChI=1S/C14H15BrFN3O/c15-9-4-5-11(16)10(8-9)12-18-13(19-20-12)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2
InChIKeyRQYOEDSQNBYGQV-UHFFFAOYSA-N
XLogP3.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351714
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354512
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
1-[5-(4-bromo-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864731
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
CID 120856435
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-fluorobenzenesulfonamide
CID 120855146
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61352515) is 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is NC1(c2noc(-c3cc(Br)ccc3F)n2)CCCCC1.
What is the InChIKey of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is RQYOEDSQNBYGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c15-9-4-5-11(16)10(8-9)12-18-13(19-20-12)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2.
What are the key properties of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 340.20 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61352515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).