4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide

C16H13FN2O3 — CID 110665296

IUPAC4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2oc(=O)[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O3/c17-12-4-2-11(3-5-12)15(20)18-8-7-10-1-6-14-13(9-10)19-16(21)22-14/h1-6,9H,7-8H2,(H,18,20)(H,19,21)
InChIKeyNMIOCGSEWIXVIE-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.23
Rot. Bonds4

About 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide

4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide (PubChem CID 110665296) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
PubChem CID110665296
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2oc(=O)[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O3/c17-12-4-2-11(3-5-12)15(20)18-8-7-10-1-6-14-13(9-10)19-16(21)22-14/h1-6,9H,7-8H2,(H,18,20)(H,19,21)
InChIKeyNMIOCGSEWIXVIE-UHFFFAOYSA-N
XLogP2.23
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
CID 115155445
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
CID 110796279
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315
5-[2-(bromomethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115262276
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide (CID 110665296) is 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide is O=C(NCCc1ccc2oc(=O)[nH]c2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide?
The InChIKey is NMIOCGSEWIXVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-12-4-2-11(3-5-12)15(20)18-8-7-10-1-6-14-13(9-10)19-16(21)22-14/h1-6,9H,7-8H2,(H,18,20)(H,19,21).
What are the key properties of 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide?
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide has a molecular weight of 300.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110665296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).