N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H15F3N2O — CID 103616141

IUPACN-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccno2)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-1-3-9(4-2-8)15-7-10-5-6-16-17-10/h5-6,8-9,15H,1-4,7H2
InChIKeyDKJVNHIQWNAPQD-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.89
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 103616141) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID103616141
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccno2)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-1-3-9(4-2-8)15-7-10-5-6-16-17-10/h5-6,8-9,15H,1-4,7H2
InChIKeyDKJVNHIQWNAPQD-UHFFFAOYSA-N
XLogP2.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71986501
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934265
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-(1,2-oxazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106415508
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
CID 106415669
2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 106417424
3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417442
4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine
CID 106417588
3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417784

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 103616141) is N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCc2ccno2)CC1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DKJVNHIQWNAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)8-1-3-9(4-2-8)15-7-10-5-6-16-17-10/h5-6,8-9,15H,1-4,7H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 248.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 103616141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).