6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole

C10H5N3O3S — CID 71662777

IUPAC6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc2nc(-c3cncs3)oc2c1
InChIInChI=1S/C10H5N3O3S/c14-13(15)6-1-2-7-8(3-6)16-10(12-7)9-4-11-5-17-9/h1-5H
InChIKeyFSRQNNAAWZUJOA-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.86
Rot. Bonds2

About 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole

6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole (PubChem CID 71662777) has the molecular formula C10H5N3O3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole
PubChem CID71662777
Molecular FormulaC10H5N3O3S
Molecular Weight247.24 g/mol
Exact Mass247.01
IUPAC Name6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc2nc(-c3cncs3)oc2c1
InChIInChI=1S/C10H5N3O3S/c14-13(15)6-1-2-7-8(3-6)16-10(12-7)9-4-11-5-17-9/h1-5H
InChIKeyFSRQNNAAWZUJOA-UHFFFAOYSA-N
XLogP2.86
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.86
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 6-nitro-2-(1,3-thiazol-5-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

2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
2-(3-iodo-4-methylphenyl)-6-nitro-1,3-benzoxazole
CID 91675089
2-(4-ethylphenyl)-6-nitro-1,3-benzoxazole
CID 25269604
6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
CID 104577433
2-(3-iodo-2-methylphenyl)-6-nitro-1,3-benzoxazole
CID 91675085
2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
CID 59680062
2-(5-chloronaphthalen-1-yl)-6-nitro-1,3-benzoxazole
CID 95911084
2-(1-ethylpyridin-1-ium-3-yl)-6-nitro-1,3-benzoxazole
CID 100817969
2-[4-(6-nitro-1,3-benzoxazol-2-yl)phenoxy]acetic acid
CID 10245095
2-methyl-3-(6-nitro-1,3-benzoxazol-2-yl)aniline
CID 91686943
2-[3-(bromomethyl)phenyl]-6-nitro-1,3-benzoxazole
CID 95911820
3-hydroxy-4-(6-nitro-1,3-benzoxazol-2-yl)benzoic acid
CID 136791037

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole (CID 71662777) is 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole is O=[N+]([O-])c1ccc2nc(-c3cncs3)oc2c1.
What is the InChIKey of 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole?
The InChIKey is FSRQNNAAWZUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3S/c14-13(15)6-1-2-7-8(3-6)16-10(12-7)9-4-11-5-17-9/h1-5H.
What are the key properties of 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole?
6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole has a molecular weight of 247.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 71662777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).