N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide

C13H13N3O4 — CID 12799316

IUPACN-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC2CO2)c(-c2nnco2)c1
InChIInChI=1S/C13H13N3O4/c1-8(17)15-9-2-3-12(19-6-10-5-18-10)11(4-9)13-16-14-7-20-13/h2-4,7,10H,5-6H2,1H3,(H,15,17)
InChIKeySDHBWMSRRKCKJQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.47
Rot. Bonds5

About N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide

N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide (PubChem CID 12799316) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide
PubChem CID12799316
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC2CO2)c(-c2nnco2)c1
InChIInChI=1S/C13H13N3O4/c1-8(17)15-9-2-3-12(19-6-10-5-18-10)11(4-9)13-16-14-7-20-13/h2-4,7,10H,5-6H2,1H3,(H,15,17)
InChIKeySDHBWMSRRKCKJQ-UHFFFAOYSA-N
XLogP1.47
TPSA89.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1293889
(2S)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 32060017
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(1-fluoro-2-methylprop-2-enoxy)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide;molecular hydrogen
CID 155721580
N-(4-methoxyphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943720
5-fluoro-2-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 32055838
2-(difluoromethoxy)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 32055884
2-ethoxy-3-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 72119083
3-(2,4-difluorophenoxy)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 75404395
2-(3-fluorophenoxy)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 86928001
3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110334817
5-fluoro-2-methoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 136528039
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(1-fluoro-2-methylprop-2-enoxy)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 155721581

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide (CID 12799316) is N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCC2CO2)c(-c2nnco2)c1.
What is the InChIKey of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
The InChIKey is SDHBWMSRRKCKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8(17)15-9-2-3-12(19-6-10-5-18-10)11(4-9)13-16-14-7-20-13/h2-4,7,10H,5-6H2,1H3,(H,15,17).
What are the key properties of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide has a molecular weight of 275.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 12799316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).