(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

C24H16N2O3 — CID 8003593

IUPAC(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESN#Cc1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H16N2O3/c25-14-17-10-12-18(13-11-17)16-28-24(27)21-9-5-4-8-20(21)23-26-15-22(29-23)19-6-2-1-3-7-19/h1-13,15H,16H2
InChIKeyIQNHBNRDJKSQPH-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.24
Rot. Bonds5

About (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (PubChem CID 8003593) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
PubChem CID8003593
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESN#Cc1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H16N2O3/c25-14-17-10-12-18(13-11-17)16-28-24(27)21-9-5-4-8-20(21)23-26-15-22(29-23)19-6-2-1-3-7-19/h1-13,15H,16H2
InChIKeyIQNHBNRDJKSQPH-UHFFFAOYSA-N
XLogP5.24
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 60616964
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126631
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 47009933
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 38167689
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
2-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676064

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The IUPAC name of (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (CID 8003593) is (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The canonical SMILES for (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is N#Cc1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The InChIKey is IQNHBNRDJKSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3/c25-14-17-10-12-18(13-11-17)16-28-24(27)21-9-5-4-8-20(21)23-26-15-22(29-23)19-6-2-1-3-7-19/h1-13,15H,16H2.
What are the key properties of (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate has a molecular weight of 380.40 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 8003593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).