(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate

C22H23NO3 — CID 100611545

IUPAC(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate
SMILESCC(C)(C)c1cnc(CCC(=O)Oc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C22H23NO3/c1-22(2,3)19-15-23-20(26-19)13-14-21(24)25-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyHXJDGYVZACPRTL-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.18
Rot. Bonds5

About (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate

(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate (PubChem CID 100611545) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Name(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate
PubChem CID100611545
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate
SMILESCC(C)(C)c1cnc(CCC(=O)Oc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C22H23NO3/c1-22(2,3)19-15-23-20(26-19)13-14-21(24)25-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyHXJDGYVZACPRTL-UHFFFAOYSA-N
XLogP5.18
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate?
The IUPAC name of (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate (CID 100611545) is (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate is CC(C)(C)c1cnc(CCC(=O)Oc2ccccc2-c2ccccc2)o1.
What is the InChIKey of (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate?
The InChIKey is HXJDGYVZACPRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-22(2,3)19-15-23-20(26-19)13-14-21(24)25-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3.
What are the key properties of (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate?
(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 349.43 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 100611545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).