5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

C12H10N2O3S — CID 55133198

IUPAC5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnoc1)c1ccc(C#CCCO)s1
InChIInChI=1S/C12H10N2O3S/c15-6-2-1-3-10-4-5-11(18-10)12(16)14-9-7-13-17-8-9/h4-5,7-8,15H,2,6H2,(H,14,16)
InChIKeyZPLAKNOCAXUPKB-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.72
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (PubChem CID 55133198) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
PubChem CID55133198
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnoc1)c1ccc(C#CCCO)s1
InChIInChI=1S/C12H10N2O3S/c15-6-2-1-3-10-4-5-11(18-10)12(16)14-9-7-13-17-8-9/h4-5,7-8,15H,2,6H2,(H,14,16)
InChIKeyZPLAKNOCAXUPKB-UHFFFAOYSA-N
XLogP1.72
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (CID 55133198) is 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is O=C(Nc1cnoc1)c1ccc(C#CCCO)s1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The InChIKey is ZPLAKNOCAXUPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-6-2-1-3-10-4-5-11(18-10)12(16)14-9-7-13-17-8-9/h4-5,7-8,15H,2,6H2,(H,14,16).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55133198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).