3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine

C15H17F3N2O — CID 81198860

IUPAC3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc3cc(C(F)(F)F)ccc3o2)C1
InChIInChI=1S/C15H17F3N2O/c1-9-3-2-6-14(19,8-9)13-20-11-7-10(15(16,17)18)4-5-12(11)21-13/h4-5,7,9H,2-3,6,8,19H2,1H3
InChIKeyUWRSCDLBVMTFBR-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.21
Rot. Bonds1

About 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine

3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine (PubChem CID 81198860) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine
PubChem CID81198860
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc3cc(C(F)(F)F)ccc3o2)C1
InChIInChI=1S/C15H17F3N2O/c1-9-3-2-6-14(19,8-9)13-20-11-7-10(15(16,17)18)4-5-12(11)21-13/h4-5,7,9H,2-3,6,8,19H2,1H3
InChIKeyUWRSCDLBVMTFBR-UHFFFAOYSA-N
XLogP4.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine (CID 81198860) is 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine is CC1CCCC(N)(c2nc3cc(C(F)(F)F)ccc3o2)C1.
What is the InChIKey of 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine?
The InChIKey is UWRSCDLBVMTFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9-3-2-6-14(19,8-9)13-20-11-7-10(15(16,17)18)4-5-12(11)21-13/h4-5,7,9H,2-3,6,8,19H2,1H3.
What are the key properties of 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine?
3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 81198860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).