N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide

C17H17N3O2S — CID 110293651

IUPACN-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O2S/c21-15(12-14-8-5-11-23-14)18-10-4-9-16-19-17(20-22-16)13-6-2-1-3-7-13/h1-3,5-8,11H,4,9-10,12H2,(H,18,21)
InChIKeyIZSMNYKIQXBEIN-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.09
Rot. Bonds7

About N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide

N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 110293651) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
PubChem CID110293651
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O2S/c21-15(12-14-8-5-11-23-14)18-10-4-9-16-19-17(20-22-16)13-6-2-1-3-7-13/h1-3,5-8,11H,4,9-10,12H2,(H,18,21)
InChIKeyIZSMNYKIQXBEIN-UHFFFAOYSA-N
XLogP3.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110324143
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 110632254
2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293648
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 50754812
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
2-(2-fluorophenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24504993

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide (CID 110293651) is N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is IZSMNYKIQXBEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-15(12-14-8-5-11-23-14)18-10-4-9-16-19-17(20-22-16)13-6-2-1-3-7-13/h1-3,5-8,11H,4,9-10,12H2,(H,18,21).
What are the key properties of N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide?
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 327.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110293651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).