(4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C13H15N5O3 — CID 62688520

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESNc1nonc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H15N5O3/c14-12-11(15-21-16-12)13(20)18-7-5-17(6-8-18)9-3-1-2-4-10(9)19/h1-4,19H,5-8H2,(H2,14,16)
InChIKeyQBLDILIZNRSHCH-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.32
Rot. Bonds2

About (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

(4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 62688520) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID62688520
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESNc1nonc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H15N5O3/c14-12-11(15-21-16-12)13(20)18-7-5-17(6-8-18)9-3-1-2-4-10(9)19/h1-4,19H,5-8H2,(H2,14,16)
InChIKeyQBLDILIZNRSHCH-UHFFFAOYSA-N
XLogP0.32
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone 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

4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 70981197
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 62491643
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 46268601
(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 62687829
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 62686173
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38416794
1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46952531
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanenitrile
CID 113291612

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 62688520) is (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is Nc1nonc1C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QBLDILIZNRSHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-12-11(15-21-16-12)13(20)18-7-5-17(6-8-18)9-3-1-2-4-10(9)19/h1-4,19H,5-8H2,(H2,14,16).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 289.30 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62688520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).