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

C14H16FN3O4 — CID 91796620

IUPAC4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCOCc1noc(CCNC(=O)c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C14H16FN3O4/c1-20-8-12-17-13(22-18-12)5-6-16-14(19)9-3-4-10(15)11(7-9)21-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyQCRGWOABHCIBCP-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.34
Rot. Bonds7

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

4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 91796620) has the molecular formula C14H16FN3O4 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID91796620
Molecular FormulaC14H16FN3O4
Molecular Weight309.30 g/mol
Exact Mass309.11
IUPAC Name4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCOCc1noc(CCNC(=O)c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C14H16FN3O4/c1-20-8-12-17-13(22-18-12)5-6-16-14(19)9-3-4-10(15)11(7-9)21-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyQCRGWOABHCIBCP-UHFFFAOYSA-N
XLogP1.34
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
CID 91784694
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 90652660
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 146126326
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide
CID 90648199
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 74240076
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 91796620) is 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is COCc1noc(CCNC(=O)c2ccc(F)c(OC)c2)n1.
What is the InChIKey of 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is QCRGWOABHCIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4/c1-20-8-12-17-13(22-18-12)5-6-16-14(19)9-3-4-10(15)11(7-9)21-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 309.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 91796620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).