4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

C15H15N3O3 — CID 106406745

IUPAC4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ncon1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C15H15N3O3/c19-10-2-1-3-12-4-6-13(7-5-12)15(20)16-9-8-14-17-11-21-18-14/h4-7,11,19H,2,8-10H2,(H,16,20)
InChIKeyGHVOVYOXTRCVOG-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.78
Rot. Bonds5

About 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 106406745) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID106406745
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ncon1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C15H15N3O3/c19-10-2-1-3-12-4-6-13(7-5-12)15(20)16-9-8-14-17-11-21-18-14/h4-7,11,19H,2,8-10H2,(H,16,20)
InChIKeyGHVOVYOXTRCVOG-UHFFFAOYSA-N
XLogP0.78
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63228058
4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406653
5-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106406192
4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391732
3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182827
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113238381
5-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409912
3-(4-hydroxybut-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106406611
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737455

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 106406745) is 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is O=C(NCCc1ncon1)c1ccc(C#CCCO)cc1.
What is the InChIKey of 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is GHVOVYOXTRCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-10-2-1-3-12-4-6-13(7-5-12)15(20)16-9-8-14-17-11-21-18-14/h4-7,11,19H,2,8-10H2,(H,16,20).
What are the key properties of 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 285.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106406745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).