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

C12H17F3N2O — CID 64755881

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C(F)(F)F)CC2)no1
InChIInChI=1S/C12H17F3N2O/c1-8-6-11(17-18-8)7-16-10-4-2-9(3-5-10)12(13,14)15/h6,9-10,16H,2-5,7H2,1H3
InChIKeyJPLZIUGXYDACLB-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.19
Rot. Bonds3

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755881) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755881
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C(F)(F)F)CC2)no1
InChIInChI=1S/C12H17F3N2O/c1-8-6-11(17-18-8)7-16-10-4-2-9(3-5-10)12(13,14)15/h6,9-10,16H,2-5,7H2,1H3
InChIKeyJPLZIUGXYDACLB-UHFFFAOYSA-N
XLogP3.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755881) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1cc(CNC2CCC(C(F)(F)F)CC2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JPLZIUGXYDACLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8-6-11(17-18-8)7-16-10-4-2-9(3-5-10)12(13,14)15/h6,9-10,16H,2-5,7H2,1H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 262.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).