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

C13H19F3N2O — CID 104862556

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cnc(C(C)NC2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C13H19F3N2O/c1-8-7-17-12(19-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h7,9-11,18H,3-6H2,1-2H3
InChIKeyGORCBZNIHZNBRU-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.75
Rot. Bonds3

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104862556) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104862556
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cnc(C(C)NC2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C13H19F3N2O/c1-8-7-17-12(19-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h7,9-11,18H,3-6H2,1-2H3
InChIKeyGORCBZNIHZNBRU-UHFFFAOYSA-N
XLogP3.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104862556) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1cnc(C(C)NC2CCC(C(F)(F)F)CC2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GORCBZNIHZNBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8-7-17-12(19-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h7,9-11,18H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 276.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104862556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).