2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole

C12H8N2O2 — CID 14534884

IUPAC2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole
SMILESc1coc(-c2ccc(-c3ncco3)cc2)n1
InChIInChI=1S/C12H8N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-8H
InChIKeyDXSXNHBIXQAWEK-UHFFFAOYSA-N
MW212.21 g/mol
LogP3.00
Rot. Bonds2

About 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole

2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole (PubChem CID 14534884) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole
PubChem CID14534884
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole
SMILESc1coc(-c2ccc(-c3ncco3)cc2)n1
InChIInChI=1S/C12H8N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-8H
InChIKeyDXSXNHBIXQAWEK-UHFFFAOYSA-N
XLogP3.00
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole (CID 14534884) is 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole is c1coc(-c2ccc(-c3ncco3)cc2)n1.
What is the InChIKey of 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole?
The InChIKey is DXSXNHBIXQAWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-8H.
What are the key properties of 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole?
2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole has a molecular weight of 212.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 14534884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).