butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

C20H19NO3 — CID 22764943

IUPACbutyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESCCCCOC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19NO3/c1-2-3-13-23-20(22)17-12-8-7-11-16(17)19-21-14-18(24-19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3
InChIKeyPANPTXQTOCCHFL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.97
Rot. Bonds6

About butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (PubChem CID 22764943) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Namebutyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
PubChem CID22764943
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namebutyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESCCCCOC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19NO3/c1-2-3-13-23-20(22)17-12-8-7-11-16(17)19-21-14-18(24-19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3
InChIKeyPANPTXQTOCCHFL-UHFFFAOYSA-N
XLogP4.97
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 60616964
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100506456
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126631
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 35486402
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
butyl 2-(2-butoxycarbonylphenyl)-3-phenylbenzoate
CID 69286308
(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 8003593
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080

Frequently Asked Questions

What is the IUPAC name of butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The IUPAC name of butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (CID 22764943) is butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The canonical SMILES for butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is CCCCOC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The InChIKey is PANPTXQTOCCHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-3-13-23-20(22)17-12-8-7-11-16(17)19-21-14-18(24-19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3.
What are the key properties of butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate has a molecular weight of 321.38 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 22764943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).