1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3O — CID 64758444

IUPAC1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCCC(C(F)(F)F)C2)no1
InChIInChI=1S/C12H18F3N3O/c1-2-4-9-17-10(18-19-9)11(16)6-3-5-8(7-11)12(13,14)15/h8H,2-7,16H2,1H3
InChIKeyLASPGEUHKDZFQN-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.93
Rot. Bonds3

About 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758444) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758444
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCCC(C(F)(F)F)C2)no1
InChIInChI=1S/C12H18F3N3O/c1-2-4-9-17-10(18-19-9)11(16)6-3-5-8(7-11)12(13,14)15/h8H,2-7,16H2,1H3
InChIKeyLASPGEUHKDZFQN-UHFFFAOYSA-N
XLogP2.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine hydrochloride
CID 17406259
N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 75526034
1-(5-Methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 16227603
3-[(4,4-Difluorocyclohexyl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 89973835
3-(4,4-Difluorocyclohexyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 89973845
3-Cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine
CID 143344649
3-(3,3-Difluorocyclohexyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 156429577
cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 156745948
5-Methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine
CID 43559929
2-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-2-amine
CID 43559934
4-Tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 43559942
4-Methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine
CID 43559951

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758444) is 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine is CCCc1nc(C2(N)CCCC(C(F)(F)F)C2)no1.
What is the InChIKey of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LASPGEUHKDZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-4-9-17-10(18-19-9)11(16)6-3-5-8(7-11)12(13,14)15/h8H,2-7,16H2,1H3.
What are the key properties of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).