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

C14H16F2N2O3S — CID 60503867

IUPAC4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline
SMILESCc1noc(C)c1CN(C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H16F2N2O3S/c1-9-13(10(2)21-17-9)8-18(3)11-4-6-12(7-5-11)22(19,20)14(15)16/h4-7,14H,8H2,1-3H3
InChIKeyRWZBKIQGEDDDHW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.92
Rot. Bonds5

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

4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline (PubChem CID 60503867) has the molecular formula C14H16F2N2O3S and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline
PubChem CID60503867
Molecular FormulaC14H16F2N2O3S
Molecular Weight330.36 g/mol
Exact Mass330.08
IUPAC Name4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline
SMILESCc1noc(C)c1CN(C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H16F2N2O3S/c1-9-13(10(2)21-17-9)8-18(3)11-4-6-12(7-5-11)22(19,20)14(15)16/h4-7,14H,8H2,1-3H3
InChIKeyRWZBKIQGEDDDHW-UHFFFAOYSA-N
XLogP2.92
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline (CID 60503867) is 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline is Cc1noc(C)c1CN(C)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline?
The InChIKey is RWZBKIQGEDDDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3S/c1-9-13(10(2)21-17-9)8-18(3)11-4-6-12(7-5-11)22(19,20)14(15)16/h4-7,14H,8H2,1-3H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline?
4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline has a molecular weight of 330.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylaniline is sourced from PubChem (CID 60503867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).