2-fluoro-5-nitro-1,3-benzoxazole

C7H3FN2O3 — CID 130967387

IUPAC2-fluoro-5-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc2oc(F)nc2c1
InChIInChI=1S/C7H3FN2O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H
InChIKeyCKPWAEMQQGQGOY-UHFFFAOYSA-N
MW182.11 g/mol
LogP1.88
Rot. Bonds1

About 2-fluoro-5-nitro-1,3-benzoxazole

2-fluoro-5-nitro-1,3-benzoxazole (PubChem CID 130967387) has the molecular formula C7H3FN2O3 and a molecular weight of 182.11 g/mol. Its IUPAC name is 2-fluoro-5-nitro-1,3-benzoxazole.

Molecular Properties

Compound Name2-fluoro-5-nitro-1,3-benzoxazole
PubChem CID130967387
Molecular FormulaC7H3FN2O3
Molecular Weight182.11 g/mol
Exact Mass182.01
IUPAC Name2-fluoro-5-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc2oc(F)nc2c1
InChIInChI=1S/C7H3FN2O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H
InChIKeyCKPWAEMQQGQGOY-UHFFFAOYSA-N
XLogP1.88
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-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

2-(2-methylprop-1-enyl)-5-nitro-1,3-benzoxazole
CID 177389035
diaminomethylidene-(5-nitro-1,3-benzoxazol-2-yl)azanium
CID 4206747
2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832228
2-(5-fluoro-1,3-benzoxazol-2-yl)-4-nitroaniline
CID 64792865
5-nitro-2-[(5-nitro-1,3-benzoxazol-2-yl)amino]phenol
CID 139785820
N,N-dimethyl-2-(5-nitro-1,3-benzoxazol-2-yl)ethenamine
CID 86008495
2-fluoro-5-iodo-1,3-benzoxazole
CID 130787084
5-nitro-1,3-benzoxazole
CID 1482180
4-[2-(5-nitro-1,3-benzoxazol-2-yl)ethyl]benzonitrile
CID 23296515
2,6-dimethyl-4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]phenol
CID 135689520
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832260
3-(5-nitro-1,3-benzoxazol-2-yl)benzoic acid
CID 95911865

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-1,3-benzoxazole?
The IUPAC name of 2-fluoro-5-nitro-1,3-benzoxazole (CID 130967387) is 2-fluoro-5-nitro-1,3-benzoxazole.
What is the SMILES notation for 2-fluoro-5-nitro-1,3-benzoxazole?
The canonical SMILES for 2-fluoro-5-nitro-1,3-benzoxazole is O=[N+]([O-])c1ccc2oc(F)nc2c1.
What is the InChIKey of 2-fluoro-5-nitro-1,3-benzoxazole?
The InChIKey is CKPWAEMQQGQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN2O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H.
What are the key properties of 2-fluoro-5-nitro-1,3-benzoxazole?
2-fluoro-5-nitro-1,3-benzoxazole has a molecular weight of 182.11 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-1,3-benzoxazole is sourced from PubChem (CID 130967387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).