2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide

C13H13FN2O2 — CID 110718546

IUPAC2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccccc2F)co1
InChIInChI=1S/C13H13FN2O2/c1-9-16-10(8-18-9)6-7-15-13(17)11-4-2-3-5-12(11)14/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyBSSUNQITTPTQIN-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds4

About 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide

2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide (PubChem CID 110718546) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
PubChem CID110718546
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccccc2F)co1
InChIInChI=1S/C13H13FN2O2/c1-9-16-10(8-18-9)6-7-15-13(17)11-4-2-3-5-12(11)14/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyBSSUNQITTPTQIN-UHFFFAOYSA-N
XLogP2.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-2-oxoethyl]benzamide
CID 110743047
2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide
CID 95724836
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714612
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449
2-(4-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718630
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743046
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718625
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
3-methyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110718533

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide (CID 110718546) is 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2ccccc2F)co1.
What is the InChIKey of 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide?
The InChIKey is BSSUNQITTPTQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9-16-10(8-18-9)6-7-15-13(17)11-4-2-3-5-12(11)14/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide?
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide has a molecular weight of 248.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110718546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).