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

C14H21F3N2O — CID 119139536

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1noc(C)c1CNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c1-9-13(10(2)20-19-9)8-18-7-11-3-5-12(6-4-11)14(15,16)17/h11-12,18H,3-8H2,1-2H3
InChIKeyJFZZWCJBTRXDCE-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.75
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 119139536) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID119139536
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1noc(C)c1CNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c1-9-13(10(2)20-19-9)8-18-7-11-3-5-12(6-4-11)14(15,16)17/h11-12,18H,3-8H2,1-2H3
InChIKeyJFZZWCJBTRXDCE-UHFFFAOYSA-N
XLogP3.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 119139536) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine is Cc1noc(C)c1CNCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is JFZZWCJBTRXDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-9-13(10(2)20-19-9)8-18-7-11-3-5-12(6-4-11)14(15,16)17/h11-12,18H,3-8H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 290.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 119139536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).