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

C12H18F3N3O — CID 104844783

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1noc(CCNC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N3O/c1-8-17-11(19-18-8)6-7-16-10-4-2-9(3-5-10)12(13,14)15/h9-10,16H,2-7H2,1H3
InChIKeyMORZCLPVGALBIB-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.63
Rot. Bonds4

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844783) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844783
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1noc(CCNC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N3O/c1-8-17-11(19-18-8)6-7-16-10-4-2-9(3-5-10)12(13,14)15/h9-10,16H,2-7H2,1H3
InChIKeyMORZCLPVGALBIB-UHFFFAOYSA-N
XLogP2.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexan-1-amine
CID 104854152
4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
CID 106414159
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914423
tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 103729598
trans-(1R,2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106416752
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylazepan-4-amine
CID 106414436
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine
CID 106417007
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
N-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 79078144
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844783) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1noc(CCNC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MORZCLPVGALBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-8-17-11(19-18-8)6-7-16-10-4-2-9(3-5-10)12(13,14)15/h9-10,16H,2-7H2,1H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).