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

C16H20FN3O — CID 63352575

IUPACN-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(-c2ccccc2F)no1
InChIInChI=1S/C16H20FN3O/c1-2-18-14-10-6-4-8-12(14)16-19-15(20-21-16)11-7-3-5-9-13(11)17/h3,5,7,9,12,14,18H,2,4,6,8,10H2,1H3
InChIKeyVGVJPVCISMJCAN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.51
Rot. Bonds4

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

N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 63352575) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID63352575
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(-c2ccccc2F)no1
InChIInChI=1S/C16H20FN3O/c1-2-18-14-10-6-4-8-12(14)16-19-15(20-21-16)11-7-3-5-9-13(11)17/h3,5,7,9,12,14,18H,2,4,6,8,10H2,1H3
InChIKeyVGVJPVCISMJCAN-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 107282911
N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 55201646
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 82788071
N-ethyl-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63553864
N-ethyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 136990369
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474380
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 66425697
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcycloheptan-1-amine
CID 63350862
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103375343
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 63352575) is N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCNC1CCCCC1c1nc(-c2ccccc2F)no1.
What is the InChIKey of N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is VGVJPVCISMJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-18-14-10-6-4-8-12(14)16-19-15(20-21-16)11-7-3-5-9-13(11)17/h3,5,7,9,12,14,18H,2,4,6,8,10H2,1H3.
What are the key properties of N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 63352575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).