3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide

C11H11N3O2 — CID 106413441

IUPAC3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCc2ccno2)c1
InChIInChI=1S/C11H11N3O2/c12-9-3-1-2-8(6-9)11(15)13-7-10-4-5-14-16-10/h1-6H,7,12H2,(H,13,15)
InChIKeyVUICQRVJPQHFBA-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.19
Rot. Bonds3

About 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide

3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 106413441) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID106413441
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCc2ccno2)c1
InChIInChI=1S/C11H11N3O2/c12-9-3-1-2-8(6-9)11(15)13-7-10-4-5-14-16-10/h1-6H,7,12H2,(H,13,15)
InChIKeyVUICQRVJPQHFBA-UHFFFAOYSA-N
XLogP1.19
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939713
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 106422085
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
4-[(E)-N'-hydroxycarbamimidoyl]-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106421882
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
4-amino-N-(1,2-oxazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 106413481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 106413441) is 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide is Nc1cccc(C(=O)NCc2ccno2)c1.
What is the InChIKey of 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is VUICQRVJPQHFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-9-3-1-2-8(6-9)11(15)13-7-10-4-5-14-16-10/h1-6H,7,12H2,(H,13,15).
What are the key properties of 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide?
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 217.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 106413441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).