2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C14H11N3O3S — CID 38859277

IUPAC2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1noc(-c2ccsc2)n1
InChIInChI=1S/C14H11N3O3S/c15-13(18)10-3-1-2-4-11(10)19-7-12-16-14(20-17-12)9-5-6-21-8-9/h1-6,8H,7H2,(H2,15,18)
InChIKeyDXGSQCJDEYWHCY-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.48
Rot. Bonds5

About 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 38859277) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID38859277
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1noc(-c2ccsc2)n1
InChIInChI=1S/C14H11N3O3S/c15-13(18)10-3-1-2-4-11(10)19-7-12-16-14(20-17-12)9-5-6-21-8-9/h1-6,8H,7H2,(H2,15,18)
InChIKeyDXGSQCJDEYWHCY-UHFFFAOYSA-N
XLogP2.48
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55554169
2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 167747987
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 63336257
2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide
CID 71859126
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 75269878
2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 59402902
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 55536450
N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 9354612

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 38859277) is 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is NC(=O)c1ccccc1OCc1noc(-c2ccsc2)n1.
What is the InChIKey of 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is DXGSQCJDEYWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-13(18)10-3-1-2-4-11(10)19-7-12-16-14(20-17-12)9-5-6-21-8-9/h1-6,8H,7H2,(H2,15,18).
What are the key properties of 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 301.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 38859277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).