3-(3-nitrophenyl)-1,2-oxazol-5-amine

C9H7N3O3 — CID 20983345

IUPAC3-(3-nitrophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C9H7N3O3/c10-9-5-8(11-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,10H2
InChIKeyNGNUZXQASHTALT-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.83
Rot. Bonds2

About 3-(3-nitrophenyl)-1,2-oxazol-5-amine

3-(3-nitrophenyl)-1,2-oxazol-5-amine (PubChem CID 20983345) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-nitrophenyl)-1,2-oxazol-5-amine
PubChem CID20983345
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name3-(3-nitrophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C9H7N3O3/c10-9-5-8(11-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,10H2
InChIKeyNGNUZXQASHTALT-UHFFFAOYSA-N
XLogP1.83
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.83
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

5-methoxy-3-(3-nitrophenyl)-1,2-oxazole
CID 154683649
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63692611
[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324976
3-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 169224083
4-(3-nitrophenyl)-2-oxido-1,2,5-oxadiazol-2-ium
CID 134105251
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 2774286
5-(4-methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 877489
2-tert-butyl-6-(3-nitrophenyl)pyrimidin-4-amine
CID 80951953
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-nitrophenyl)-1,2-oxazol-5-amine (CID 20983345) is 3-(3-nitrophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-nitrophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-nitrophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of 3-(3-nitrophenyl)-1,2-oxazol-5-amine?
The InChIKey is NGNUZXQASHTALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-9-5-8(11-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,10H2.
What are the key properties of 3-(3-nitrophenyl)-1,2-oxazol-5-amine?
3-(3-nitrophenyl)-1,2-oxazol-5-amine has a molecular weight of 205.17 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 20983345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).