4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C13H15N5O3 — CID 106421849

IUPAC4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2ccc(/C(N)=N/O)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-8-16-11(21-18-8)6-7-15-13(19)10-4-2-9(3-5-10)12(14)17-20/h2-5,20H,6-7H2,1H3,(H2,14,17)(H,15,19)
InChIKeyVUYPSKGGIXZYTK-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.45
Rot. Bonds5

About 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 106421849) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID106421849
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2ccc(/C(N)=N/O)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-8-16-11(21-18-8)6-7-15-13(19)10-4-2-9(3-5-10)12(14)17-20/h2-5,20H,6-7H2,1H3,(H2,14,17)(H,15,19)
InChIKeyVUYPSKGGIXZYTK-UHFFFAOYSA-N
XLogP0.45
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]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

3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
3-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 76927062
5-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113234051
N-(2-acetamidoethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43553032
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 114185667
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-6-carboxamide
CID 106416306
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113230361
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
3-amino-5-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413376

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 106421849) is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1noc(CCNC(=O)c2ccc(/C(N)=N/O)cc2)n1.
What is the InChIKey of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is VUYPSKGGIXZYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-16-11(21-18-8)6-7-15-13(19)10-4-2-9(3-5-10)12(14)17-20/h2-5,20H,6-7H2,1H3,(H2,14,17)(H,15,19).
What are the key properties of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 289.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 106421849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).