2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide

C13H13F2N3O4 — CID 90648199

IUPAC2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)NCCc1noc(CO)n1
InChIInChI=1S/C13H13F2N3O4/c1-21-8-3-2-7(14)12(15)11(8)13(20)16-5-4-9-17-10(6-19)22-18-9/h2-3,19H,4-6H2,1H3,(H,16,20)
InChIKeyXGEQLBQGGCVNLT-UHFFFAOYSA-N
MW313.26 g/mol
LogP0.82
Rot. Bonds6

About 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide

2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide (PubChem CID 90648199) has the molecular formula C13H13F2N3O4 and a molecular weight of 313.26 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide
PubChem CID90648199
Molecular FormulaC13H13F2N3O4
Molecular Weight313.26 g/mol
Exact Mass313.09
IUPAC Name2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)NCCc1noc(CO)n1
InChIInChI=1S/C13H13F2N3O4/c1-21-8-3-2-7(14)12(15)11(8)13(20)16-5-4-9-17-10(6-19)22-18-9/h2-3,19H,4-6H2,1H3,(H,16,20)
InChIKeyXGEQLBQGGCVNLT-UHFFFAOYSA-N
XLogP0.82
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-6-methoxy-N-[2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90648676
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 91796620
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 119072887
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 119062020
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634
4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 122572326
N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 90649353
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

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide?
The IUPAC name of 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide (CID 90648199) is 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide.
What is the SMILES notation for 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide?
The canonical SMILES for 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide is COc1ccc(F)c(F)c1C(=O)NCCc1noc(CO)n1.
What is the InChIKey of 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide?
The InChIKey is XGEQLBQGGCVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O4/c1-21-8-3-2-7(14)12(15)11(8)13(20)16-5-4-9-17-10(6-19)22-18-9/h2-3,19H,4-6H2,1H3,(H,16,20).
What are the key properties of 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide?
2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide has a molecular weight of 313.26 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide is sourced from PubChem (CID 90648199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).