4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C15H15N3O3 — CID 106406653

IUPAC4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2ncon2)ccc1C#CCCO
InChIInChI=1S/C15H15N3O3/c1-11-8-13(6-5-12(11)4-2-3-7-19)15(20)16-9-14-17-10-21-18-14/h5-6,8,10,19H,3,7,9H2,1H3,(H,16,20)
InChIKeySUPRJJXNZFPAFH-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.04
Rot. Bonds4

About 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 106406653) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID106406653
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2ncon2)ccc1C#CCCO
InChIInChI=1S/C15H15N3O3/c1-11-8-13(6-5-12(11)4-2-3-7-19)15(20)16-9-14-17-10-21-18-14/h5-6,8,10,19H,3,7,9H2,1H3,(H,16,20)
InChIKeySUPRJJXNZFPAFH-UHFFFAOYSA-N
XLogP1.04
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminoprop-1-ynyl)-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406870
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406647
N-ethyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzamide
CID 113396880
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406620
3-(4-hydroxybut-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106406611
4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406745
3-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-4-methylbenzamide
CID 81458928
N-(2-amino-2-oxoethyl)-3-(4-hydroxybut-1-ynyl)-4-methylbenzamide
CID 81476925
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185141
3-(3-aminoprop-1-ynyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406846
3-amino-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408394
3,6-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)benzoic acid
CID 106394631

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 106406653) is 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is Cc1cc(C(=O)NCc2ncon2)ccc1C#CCCO.
What is the InChIKey of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is SUPRJJXNZFPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-8-13(6-5-12(11)4-2-3-7-19)15(20)16-9-14-17-10-21-18-14/h5-6,8,10,19H,3,7,9H2,1H3,(H,16,20).
What are the key properties of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 285.30 g/mol, XLogP of 1.04, 4 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)-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 106406653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).