5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine

C11H8ClN3O2 — CID 113331623

IUPAC5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine
SMILESCc1cc(-c2nc3cc(Cl)c(N)cc3o2)no1
InChIInChI=1S/C11H8ClN3O2/c1-5-2-9(15-17-5)11-14-8-3-6(12)7(13)4-10(8)16-11/h2-4H,13H2,1H3
InChIKeyNZAWETIJMWNASI-UHFFFAOYSA-N
MW249.66 g/mol
LogP3.03
Rot. Bonds1

About 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine

5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine (PubChem CID 113331623) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine
PubChem CID113331623
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine
SMILESCc1cc(-c2nc3cc(Cl)c(N)cc3o2)no1
InChIInChI=1S/C11H8ClN3O2/c1-5-2-9(15-17-5)11-14-8-3-6(12)7(13)4-10(8)16-11/h2-4H,13H2,1H3
InChIKeyNZAWETIJMWNASI-UHFFFAOYSA-N
XLogP3.03
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine
CID 114820837
5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
CID 107096884
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
CID 115539699
2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
CID 107939135
5-chloro-2-(3-chloro-4-iodophenyl)-1,3-benzoxazol-6-amine
CID 103220838
5-chloro-2-(3-iodophenyl)-1,3-benzoxazol-6-amine
CID 113331594
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
5-chloro-2-[2-(4-methylphenyl)ethyl]-1,3-benzoxazol-6-amine
CID 115539870
5-chloro-2-(2-methylsulfonylpropan-2-yl)-1,3-benzoxazol-6-amine
CID 113331617

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine (CID 113331623) is 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine is Cc1cc(-c2nc3cc(Cl)c(N)cc3o2)no1.
What is the InChIKey of 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine?
The InChIKey is NZAWETIJMWNASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c1-5-2-9(15-17-5)11-14-8-3-6(12)7(13)4-10(8)16-11/h2-4H,13H2,1H3.
What are the key properties of 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine?
5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine has a molecular weight of 249.66 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 113331623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).