2-phenyl-1,3-oxazole;zinc

C9H7NOZn — CID 175242530

IUPAC2-phenyl-1,3-oxazole;zinc
SMILES[Zn].c1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO.Zn/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-7H;
InChIKeyBXPQFMXGQXPEOK-UHFFFAOYSA-N
MW210.55 g/mol
LogP2.34
Rot. Bonds1

About 2-phenyl-1,3-oxazole;zinc

2-phenyl-1,3-oxazole;zinc (PubChem CID 175242530) has the molecular formula C9H7NOZn and a molecular weight of 210.55 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazole;zinc.

Molecular Properties

Compound Name2-phenyl-1,3-oxazole;zinc
PubChem CID175242530
Molecular FormulaC9H7NOZn
Molecular Weight210.55 g/mol
Exact Mass208.98
IUPAC Name2-phenyl-1,3-oxazole;zinc
SMILES[Zn].c1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO.Zn/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-7H;
InChIKeyBXPQFMXGQXPEOK-UHFFFAOYSA-N
XLogP2.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.55
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173358954
CID 173358954
benzaldehyde;2-phenyl-1,3-oxazole
CID 157335957
2-(4-pyridin-2-ylphenyl)-1,3-oxazole
CID 142277060
2-(2,6-dideuteriophenyl)-1,3-oxazole
CID 122401309
2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole
CID 173298635
2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole
CID 21050971
2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
CID 71374228
2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde
CID 54315674
2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-(2-phenylphenyl)anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 121297738
3-phenyl-1,4-oxazin-2-one
CID 135005028
3-(1,3-oxazol-2-yl)benzenesulfinic acid
CID 68532159
N,N-diethyl-4-(1,3-oxazol-2-yl)aniline
CID 23047077

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-oxazole;zinc?
The IUPAC name of 2-phenyl-1,3-oxazole;zinc (CID 175242530) is 2-phenyl-1,3-oxazole;zinc.
What is the SMILES notation for 2-phenyl-1,3-oxazole;zinc?
The canonical SMILES for 2-phenyl-1,3-oxazole;zinc is [Zn].c1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-phenyl-1,3-oxazole;zinc?
The InChIKey is BXPQFMXGQXPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.Zn/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-7H;.
What are the key properties of 2-phenyl-1,3-oxazole;zinc?
2-phenyl-1,3-oxazole;zinc has a molecular weight of 210.55 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazole;zinc is sourced from PubChem (CID 175242530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).