N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline

C14H15F3N2O3S — CID 71896342

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline
SMILESCc1noc(C)c1CN(C)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O3S/c1-9-11(10(2)22-18-9)8-19(3)12-6-4-5-7-13(12)23(20,21)14(15,16)17/h4-7H,8H2,1-3H3
InChIKeyPWOWEUGAERUZBF-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.22
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline (PubChem CID 71896342) has the molecular formula C14H15F3N2O3S and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline
PubChem CID71896342
Molecular FormulaC14H15F3N2O3S
Molecular Weight348.35 g/mol
Exact Mass348.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline
SMILESCc1noc(C)c1CN(C)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O3S/c1-9-11(10(2)22-18-9)8-19(3)12-6-4-5-7-13(12)23(20,21)14(15,16)17/h4-7H,8H2,1-3H3
InChIKeyPWOWEUGAERUZBF-UHFFFAOYSA-N
XLogP3.22
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline (CID 71896342) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline is Cc1noc(C)c1CN(C)c1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is PWOWEUGAERUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S/c1-9-11(10(2)22-18-9)8-19(3)12-6-4-5-7-13(12)23(20,21)14(15,16)17/h4-7H,8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 348.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 71896342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).