2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide

C17H15FN2O3 — CID 87006319

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
SMILESCCOc1cc(F)ccc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C17H15FN2O3/c1-2-22-16-9-11(18)7-8-13(16)19-17(21)10-14-12-5-3-4-6-15(12)23-20-14/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyFBKBTVBOKFWYLT-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.55
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide (PubChem CID 87006319) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
PubChem CID87006319
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
SMILESCCOc1cc(F)ccc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C17H15FN2O3/c1-2-22-16-9-11(18)7-8-13(16)19-17(21)10-14-12-5-3-4-6-15(12)23-20-14/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyFBKBTVBOKFWYLT-UHFFFAOYSA-N
XLogP3.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2,5-diethoxyphenyl)acetamide
CID 35540282
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide
CID 86913005
2-(1,2-benzoxazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 26157703
N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide
CID 112837285
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122356081
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 104619644
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
N-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-methoxyphenyl]-3-methylbutanamide
CID 50958245

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide (CID 87006319) is 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide is CCOc1cc(F)ccc1NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
The InChIKey is FBKBTVBOKFWYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-2-22-16-9-11(18)7-8-13(16)19-17(21)10-14-12-5-3-4-6-15(12)23-20-14/h3-9H,2,10H2,1H3,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide is sourced from PubChem (CID 87006319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).