1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine

C14H12F6N2O — CID 151780223

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1
InChIInChI=1S/C14H12F6N2O/c1-8-2-12(23-22-8)7-21-6-9-3-10(13(15,16)17)5-11(4-9)14(18,19)20/h2-5,21H,6-7H2,1H3
InChIKeyRUKXXIUXQOSFHK-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.31
Rot. Bonds4

About 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine

1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 151780223) has the molecular formula C14H12F6N2O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID151780223
Molecular FormulaC14H12F6N2O
Molecular Weight338.25 g/mol
Exact Mass338.09
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1
InChIInChI=1S/C14H12F6N2O/c1-8-2-12(23-22-8)7-21-6-9-3-10(13(15,16)17)5-11(4-9)14(18,19)20/h2-5,21H,6-7H2,1H3
InChIKeyRUKXXIUXQOSFHK-UHFFFAOYSA-N
XLogP4.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (CID 151780223) is 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is Cc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is RUKXXIUXQOSFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O/c1-8-2-12(23-22-8)7-21-6-9-3-10(13(15,16)17)5-11(4-9)14(18,19)20/h2-5,21H,6-7H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 338.25 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 151780223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).