2-(4-nitropyrazol-1-yl)-1,3-benzoxazole

C10H6N4O3 — CID 71864654

IUPAC2-(4-nitropyrazol-1-yl)-1,3-benzoxazole
SMILESO=[N+]([O-])c1cnn(-c2nc3ccccc3o2)c1
InChIInChI=1S/C10H6N4O3/c15-14(16)7-5-11-13(6-7)10-12-8-3-1-2-4-9(8)17-10/h1-6H
InChIKeyCGCZICODDAGVEZ-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.92
Rot. Bonds2

About 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole

2-(4-nitropyrazol-1-yl)-1,3-benzoxazole (PubChem CID 71864654) has the molecular formula C10H6N4O3 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-1,3-benzoxazole
PubChem CID71864654
Molecular FormulaC10H6N4O3
Molecular Weight230.18 g/mol
Exact Mass230.04
IUPAC Name2-(4-nitropyrazol-1-yl)-1,3-benzoxazole
SMILESO=[N+]([O-])c1cnn(-c2nc3ccccc3o2)c1
InChIInChI=1S/C10H6N4O3/c15-14(16)7-5-11-13(6-7)10-12-8-3-1-2-4-9(8)17-10/h1-6H
InChIKeyCGCZICODDAGVEZ-UHFFFAOYSA-N
XLogP1.92
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
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 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,3-benzoxazol-2-yl)pyrazol-4-amine
CID 61174865
4-nitro-1-phenylpyrazole
CID 2755894
2-[1-(1,3-benzoxazol-2-yl)pyrazol-4-yl]aniline
CID 63338651
1-(1,3-benzoxazol-2-ylmethyl)-5-nitropyridin-2-one
CID 38896135
3-(4-nitrophenyl)-1,4-benzoxazin-2-one
CID 139215522
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
2-[[1-(4-nitrophenyl)triazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 90643696
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 596702
2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine
CID 79883039
1-nitrophenoxazin-3-one
CID 56623997
2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609797

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole (CID 71864654) is 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole is O=[N+]([O-])c1cnn(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole?
The InChIKey is CGCZICODDAGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O3/c15-14(16)7-5-11-13(6-7)10-12-8-3-1-2-4-9(8)17-10/h1-6H.
What are the key properties of 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole?
2-(4-nitropyrazol-1-yl)-1,3-benzoxazole has a molecular weight of 230.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 71864654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).