cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

C19H14N2O3 — CID 8510359

IUPACcyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCC#N)o2)cc1
InChIInChI=1S/C19H14N2O3/c1-13-6-8-14(9-7-13)17-12-21-18(24-17)15-4-2-3-5-16(15)19(22)23-11-10-20/h2-9,12H,11H2,1H3
InChIKeyUENZXJQHURGECC-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.00
Rot. Bonds4

About cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 8510359) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Namecyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID8510359
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Namecyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCC#N)o2)cc1
InChIInChI=1S/C19H14N2O3/c1-13-6-8-14(9-7-13)17-12-21-18(24-17)15-4-2-3-5-16(15)19(22)23-11-10-20/h2-9,12H,11H2,1H3
InChIKeyUENZXJQHURGECC-UHFFFAOYSA-N
XLogP4.00
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510395
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 60616964
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510430
(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 8003593
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 27998707
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (CID 8510359) is cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC#N)o2)cc1.
What is the InChIKey of cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is UENZXJQHURGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-13-6-8-14(9-7-13)17-12-21-18(24-17)15-4-2-3-5-16(15)19(22)23-11-10-20/h2-9,12H,11H2,1H3.
What are the key properties of cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 318.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 8510359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).