5-(1,2-oxazol-5-yl)-1,2-benzoxazole

C10H6N2O2 — CID 146416267

IUPAC5-(1,2-oxazol-5-yl)-1,2-benzoxazole
SMILESc1cc(-c2ccc3oncc3c2)on1
InChIInChI=1S/C10H6N2O2/c1-2-9-8(6-12-14-9)5-7(1)10-3-4-11-13-10/h1-6H
InChIKeyAECOJVBLSNSYTL-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.48
Rot. Bonds1

About 5-(1,2-oxazol-5-yl)-1,2-benzoxazole

5-(1,2-oxazol-5-yl)-1,2-benzoxazole (PubChem CID 146416267) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-(1,2-oxazol-5-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name5-(1,2-oxazol-5-yl)-1,2-benzoxazole
PubChem CID146416267
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name5-(1,2-oxazol-5-yl)-1,2-benzoxazole
SMILESc1cc(-c2ccc3oncc3c2)on1
InChIInChI=1S/C10H6N2O2/c1-2-9-8(6-12-14-9)5-7(1)10-3-4-11-13-10/h1-6H
InChIKeyAECOJVBLSNSYTL-UHFFFAOYSA-N
XLogP2.48
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-5-yl)-1,2-benzoxazole?
The IUPAC name of 5-(1,2-oxazol-5-yl)-1,2-benzoxazole (CID 146416267) is 5-(1,2-oxazol-5-yl)-1,2-benzoxazole.
What is the SMILES notation for 5-(1,2-oxazol-5-yl)-1,2-benzoxazole?
The canonical SMILES for 5-(1,2-oxazol-5-yl)-1,2-benzoxazole is c1cc(-c2ccc3oncc3c2)on1.
What is the InChIKey of 5-(1,2-oxazol-5-yl)-1,2-benzoxazole?
The InChIKey is AECOJVBLSNSYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c1-2-9-8(6-12-14-9)5-7(1)10-3-4-11-13-10/h1-6H.
What are the key properties of 5-(1,2-oxazol-5-yl)-1,2-benzoxazole?
5-(1,2-oxazol-5-yl)-1,2-benzoxazole has a molecular weight of 186.17 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-5-yl)-1,2-benzoxazole is sourced from PubChem (CID 146416267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).