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

C13H19F3N2O — CID 104696222

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C(F)(F)F)oc1C
InChIInChI=1S/C13H19F3N2O/c1-8-9(2)19-12(18-8)7-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17H,3-7H2,1-2H3
InChIKeyKKBQMBLURPMPGS-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.50
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104696222) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104696222
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C(F)(F)F)oc1C
InChIInChI=1S/C13H19F3N2O/c1-8-9(2)19-12(18-8)7-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17H,3-7H2,1-2H3
InChIKeyKKBQMBLURPMPGS-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 104696222) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1nc(CNC2CCCCC2C(F)(F)F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KKBQMBLURPMPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8-9(2)19-12(18-8)7-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17H,3-7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 276.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104696222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).