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

C16H11N3O4 — CID 3027130

IUPAC2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)no1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O4/c20-16(12-8-4-5-9-14(12)19(21)22)17-15-10-13(18-23-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKeyHCSHSICCFOHHQC-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.50
Rot. Bonds4

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

2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide (PubChem CID 3027130) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
PubChem CID3027130
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)no1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O4/c20-16(12-8-4-5-9-14(12)19(21)22)17-15-10-13(18-23-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKeyHCSHSICCFOHHQC-UHFFFAOYSA-N
XLogP3.50
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 10826519
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866508
2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 47028167
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
CID 7711262
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
4-amino-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-nitrobenzamide
CID 56544763
N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-nitrobenzamide
CID 25281523

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide (CID 3027130) is 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide is O=C(Nc1cc(-c2ccccc2)no1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is HCSHSICCFOHHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-16(12-8-4-5-9-14(12)19(21)22)17-15-10-13(18-23-15)11-6-2-1-3-7-11/h1-10H,(H,17,20).
What are the key properties of 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide?
2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 309.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 3027130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).