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

C16H13N3O2 — CID 10826519

IUPAC2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H13N3O2/c17-13-9-5-4-8-12(13)16(20)18-15-10-14(19-21-15)11-6-2-1-3-7-11/h1-10H,17H2,(H,18,20)
InChIKeyXMRUBGNEDOGLHR-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.18
Rot. Bonds3

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

2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide (PubChem CID 10826519) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
PubChem CID10826519
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H13N3O2/c17-13-9-5-4-8-12(13)16(20)18-15-10-14(19-21-15)11-6-2-1-3-7-11/h1-10H,17H2,(H,18,20)
InChIKeyXMRUBGNEDOGLHR-UHFFFAOYSA-N
XLogP3.18
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide (CID 10826519) is 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide is Nc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is XMRUBGNEDOGLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-13-9-5-4-8-12(13)16(20)18-15-10-14(19-21-15)11-6-2-1-3-7-11/h1-10H,17H2,(H,18,20).
What are the key properties of 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 10826519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).