N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline

C12H11F3N2O — CID 62312935

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1cc(CNc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C12H11F3N2O/c1-8-6-9(18-17-8)7-16-11-5-3-2-4-10(11)12(13,14)15/h2-6,16H,7H2,1H3
InChIKeyBCMLRDWYLXOELS-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.61
Rot. Bonds3

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 62312935) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID62312935
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1cc(CNc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C12H11F3N2O/c1-8-6-9(18-17-8)7-16-11-5-3-2-4-10(11)12(13,14)15/h2-6,16H,7H2,1H3
InChIKeyBCMLRDWYLXOELS-UHFFFAOYSA-N
XLogP3.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline (CID 62312935) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline is Cc1cc(CNc2ccccc2C(F)(F)F)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is BCMLRDWYLXOELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-6-9(18-17-8)7-16-11-5-3-2-4-10(11)12(13,14)15/h2-6,16H,7H2,1H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 256.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62312935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).