7-methoxy-5-nitro-1,3-benzoxazole

C8H6N2O4 — CID 166065729

IUPAC7-methoxy-5-nitro-1,3-benzoxazole
SMILESCOc1cc([N+](=O)[O-])cc2ncoc12
InChIInChI=1S/C8H6N2O4/c1-13-7-3-5(10(11)12)2-6-8(7)14-4-9-6/h2-4H,1H3
InChIKeyHUOQJRFYYHAOEW-UHFFFAOYSA-N
MW194.15 g/mol
LogP1.74
Rot. Bonds2

About 7-methoxy-5-nitro-1,3-benzoxazole

7-methoxy-5-nitro-1,3-benzoxazole (PubChem CID 166065729) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 7-methoxy-5-nitro-1,3-benzoxazole.

Molecular Properties

Compound Name7-methoxy-5-nitro-1,3-benzoxazole
PubChem CID166065729
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name7-methoxy-5-nitro-1,3-benzoxazole
SMILESCOc1cc([N+](=O)[O-])cc2ncoc12
InChIInChI=1S/C8H6N2O4/c1-13-7-3-5(10(11)12)2-6-8(7)14-4-9-6/h2-4H,1H3
InChIKeyHUOQJRFYYHAOEW-UHFFFAOYSA-N
XLogP1.74
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.74
H-Bond Donors ≤ 50
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'}

Analyze 7-methoxy-5-nitro-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

5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole
CID 90429374
5-nitro-1,3-benzoxazole
CID 1482180
2-methoxy-N,N-dimethyl-4,6-dinitroaniline
CID 50879932
8-methoxy-3-(8-methoxy-6-nitro-2-oxochromen-3-yl)sulfonyl-6-nitrochromen-2-one
CID 11699038
3-methoxy-N-methyl-5-nitropyridin-2-amine
CID 90022055
2-amino-3-methoxy-5-nitrobenzenethiol
CID 71345154
ethane;2-methoxy-4-nitrophenol
CID 91188946
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-bromo-6-methoxy-4-nitroaniline
CID 7099118
methyl 8-methoxy-6-nitro-2-oxochromene-3-carboxylate
CID 166609293
2-methoxy-4-nitrobenzenethiol
CID 22148741
7-methoxy-5-nitro-1H-indole
CID 10797804

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-nitro-1,3-benzoxazole?
The IUPAC name of 7-methoxy-5-nitro-1,3-benzoxazole (CID 166065729) is 7-methoxy-5-nitro-1,3-benzoxazole.
What is the SMILES notation for 7-methoxy-5-nitro-1,3-benzoxazole?
The canonical SMILES for 7-methoxy-5-nitro-1,3-benzoxazole is COc1cc([N+](=O)[O-])cc2ncoc12.
What is the InChIKey of 7-methoxy-5-nitro-1,3-benzoxazole?
The InChIKey is HUOQJRFYYHAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c1-13-7-3-5(10(11)12)2-6-8(7)14-4-9-6/h2-4H,1H3.
What are the key properties of 7-methoxy-5-nitro-1,3-benzoxazole?
7-methoxy-5-nitro-1,3-benzoxazole has a molecular weight of 194.15 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-nitro-1,3-benzoxazole is sourced from PubChem (CID 166065729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).