2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C13H14FN3O3 — CID 91917633

IUPAC2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCOCc1nc(CCNC(=O)c2ccccc2F)no1
InChIInChI=1S/C13H14FN3O3/c1-19-8-12-16-11(17-20-12)6-7-15-13(18)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18)
InChIKeyXUAVSKOZPZZKTE-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.33
Rot. Bonds6

About 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 91917633) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID91917633
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCOCc1nc(CCNC(=O)c2ccccc2F)no1
InChIInChI=1S/C13H14FN3O3/c1-19-8-12-16-11(17-20-12)6-7-15-13(18)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18)
InChIKeyXUAVSKOZPZZKTE-UHFFFAOYSA-N
XLogP1.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 91796620
4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 91917705
2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide
CID 90648199
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718546
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
CID 91784694
1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 91907309
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 91917633) is 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is COCc1nc(CCNC(=O)c2ccccc2F)no1.
What is the InChIKey of 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is XUAVSKOZPZZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-19-8-12-16-11(17-20-12)6-7-15-13(18)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18).
What are the key properties of 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 279.27 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 91917633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).