5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide

C13H15N3O4S — CID 58657169

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide
SMILESCc1noc(-c2ccc(C(=O)NOC3CCCCO3)s2)n1
InChIInChI=1S/C13H15N3O4S/c1-8-14-13(20-15-8)10-6-5-9(21-10)12(17)16-19-11-4-2-3-7-18-11/h5-6,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyAXPQDRGKYSMYKE-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.29
Rot. Bonds4

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide

5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide (PubChem CID 58657169) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide
PubChem CID58657169
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide
SMILESCc1noc(-c2ccc(C(=O)NOC3CCCCO3)s2)n1
InChIInChI=1S/C13H15N3O4S/c1-8-14-13(20-15-8)10-6-5-9(21-10)12(17)16-19-11-4-2-3-7-18-11/h5-6,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyAXPQDRGKYSMYKE-UHFFFAOYSA-N
XLogP2.29
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide (CID 58657169) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide is Cc1noc(-c2ccc(C(=O)NOC3CCCCO3)s2)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide?
The InChIKey is AXPQDRGKYSMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-14-13(20-15-8)10-6-5-9(21-10)12(17)16-19-11-4-2-3-7-18-11/h5-6,11H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-2-yloxy)thiophene-2-carboxamide is sourced from PubChem (CID 58657169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).