N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide

C16H12F2N2O2 — CID 7314830

IUPACN-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3cc(F)cc(F)c3)noc12
InChIInChI=1S/C16H12F2N2O2/c1-9-3-2-4-13-14(20-22-16(9)13)8-15(21)19-12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3,(H,19,21)
InChIKeyTZBRJWILHUPPRT-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.60
Rot. Bonds3

About N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide

N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 7314830) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID7314830
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC NameN-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3cc(F)cc(F)c3)noc12
InChIInChI=1S/C16H12F2N2O2/c1-9-3-2-4-13-14(20-22-16(9)13)8-15(21)19-12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3,(H,19,21)
InChIKeyTZBRJWILHUPPRT-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

3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
N-(4-bromophenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794442
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 108806118
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108791948
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
CID 108794539
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide (CID 7314830) is N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1cccc2c(CC(=O)Nc3cc(F)cc(F)c3)noc12.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is TZBRJWILHUPPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-9-3-2-4-13-14(20-22-16(9)13)8-15(21)19-12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide?
N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-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-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 7314830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).