[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate

C17H13NO3 — CID 71501498

IUPAC[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H13NO3/c1-12(19)20-15-9-7-13(8-10-15)16-11-18-17(21-16)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyIHANLPMEVGEWFH-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.93
Rot. Bonds3

About [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate

[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate (PubChem CID 71501498) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
PubChem CID71501498
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H13NO3/c1-12(19)20-15-9-7-13(8-10-15)16-11-18-17(21-16)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyIHANLPMEVGEWFH-UHFFFAOYSA-N
XLogP3.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-phenyl-1,3-oxazol-2-yl)phenyl] acetate
CID 24962592
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 58804845
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
1-[5-(5-phenyl-1,3-oxazol-2-yl)furan-2-yl]ethanone
CID 15353321
[4-[5-[3,5-bis[5-(4-acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 118041982
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-5-yl)phenoxy]butan-2-one
CID 163000587
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate?
The IUPAC name of [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate (CID 71501498) is [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate.
What is the SMILES notation for [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate?
The canonical SMILES for [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate is CC(=O)Oc1ccc(-c2cnc(-c3ccccc3)o2)cc1.
What is the InChIKey of [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate?
The InChIKey is IHANLPMEVGEWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-12(19)20-15-9-7-13(8-10-15)16-11-18-17(21-16)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate?
[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate has a molecular weight of 279.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate is sourced from PubChem (CID 71501498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).