2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline

C11H10F2N2O — CID 82816076

IUPAC2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cnco2)c1F
InChIInChI=1S/C11H10F2N2O/c1-7-2-3-9(12)11(10(7)13)15-5-8-4-14-6-16-8/h2-4,6,15H,5H2,1H3
InChIKeySMSSUGNHDPCTSE-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.87
Rot. Bonds3

About 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline

2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline (PubChem CID 82816076) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline
PubChem CID82816076
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cnco2)c1F
InChIInChI=1S/C11H10F2N2O/c1-7-2-3-9(12)11(10(7)13)15-5-8-4-14-6-16-8/h2-4,6,15H,5H2,1H3
InChIKeySMSSUGNHDPCTSE-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline (CID 82816076) is 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline is Cc1ccc(F)c(NCc2cnco2)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline?
The InChIKey is SMSSUGNHDPCTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-7-2-3-9(12)11(10(7)13)15-5-8-4-14-6-16-8/h2-4,6,15H,5H2,1H3.
What are the key properties of 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline?
2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline has a molecular weight of 224.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline is sourced from PubChem (CID 82816076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).