N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide

C16H12F2N2O2 — CID 110772044

IUPACN-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(CC(=O)Nc3ccc(F)cc3F)cc2o1
InChIInChI=1S/C16H12F2N2O2/c1-9-19-14-4-2-10(6-15(14)22-9)7-16(21)20-13-5-3-11(17)8-12(13)18/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyQLHLIXXNIJSUCW-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.60
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide

N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide (PubChem CID 110772044) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
PubChem CID110772044
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC NameN-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(CC(=O)Nc3ccc(F)cc3F)cc2o1
InChIInChI=1S/C16H12F2N2O2/c1-9-19-14-4-2-10(6-15(14)22-9)7-16(21)20-13-5-3-11(17)8-12(13)18/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyQLHLIXXNIJSUCW-UHFFFAOYSA-N
XLogP3.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110773923
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772058
methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110772027
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886
N-(2,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110410212
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
N-(2,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679748

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide (CID 110772044) is N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide is Cc1nc2ccc(CC(=O)Nc3ccc(F)cc3F)cc2o1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is QLHLIXXNIJSUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-9-19-14-4-2-10(6-15(14)22-9)7-16(21)20-13-5-3-11(17)8-12(13)18/h2-6,8H,7H2,1H3,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 302.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 110772044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).