5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

C10H6N4O3 — CID 66007412

IUPAC5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N
InChIInChI=1S/C10H6N4O3/c11-5-7-9(12)17-10(13-7)6-3-1-2-4-8(6)14(15)16/h1-4H,12H2
InChIKeyCVELLYPHROORLC-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.70
Rot. Bonds2

About 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 66007412) has the molecular formula C10H6N4O3 and a molecular weight of 230.18 g/mol. Its IUPAC name is 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
PubChem CID66007412
Molecular FormulaC10H6N4O3
Molecular Weight230.18 g/mol
Exact Mass230.04
IUPAC Name5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N
InChIInChI=1S/C10H6N4O3/c11-5-7-9(12)17-10(13-7)6-3-1-2-4-8(6)14(15)16/h1-4H,12H2
InChIKeyCVELLYPHROORLC-UHFFFAOYSA-N
XLogP1.70
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile (CID 66007412) is 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N.
What is the InChIKey of 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is CVELLYPHROORLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O3/c11-5-7-9(12)17-10(13-7)6-3-1-2-4-8(6)14(15)16/h1-4H,12H2.
What are the key properties of 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 230.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66007412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).