benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate

C16H19NO3 — CID 170382634

IUPACbenzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate
SMILESCc1nc(C(C)(C)C(=O)OCc2ccccc2)oc1C
InChIInChI=1S/C16H19NO3/c1-11-12(2)20-14(17-11)16(3,4)15(18)19-10-13-8-6-5-7-9-13/h5-9H,10H2,1-4H3
InChIKeyVPINSXNJWGFYJZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.31
Rot. Bonds4

About benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate

benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate (PubChem CID 170382634) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate
PubChem CID170382634
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namebenzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate
SMILESCc1nc(C(C)(C)C(=O)OCc2ccccc2)oc1C
InChIInChI=1S/C16H19NO3/c1-11-12(2)20-14(17-11)16(3,4)15(18)19-10-13-8-6-5-7-9-13/h5-9H,10H2,1-4H3
InChIKeyVPINSXNJWGFYJZ-UHFFFAOYSA-N
XLogP3.31
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate 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

benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
benzyl 4-methyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 56930138
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropanoate
CID 166786253
benzyl 2-methyl-2-(1,3-thiazol-4-yl)propanoate
CID 167247787
benzyl 2-amino-2-methylpentanoate
CID 61276990
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate
CID 165018733
benzyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate
CID 139483469
benzyl 4-amino-2,2-dimethyl-4-oxobutanoate
CID 66875161

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate?
The IUPAC name of benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate (CID 170382634) is benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate.
What is the SMILES notation for benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate?
The canonical SMILES for benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate is Cc1nc(C(C)(C)C(=O)OCc2ccccc2)oc1C.
What is the InChIKey of benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate?
The InChIKey is VPINSXNJWGFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-12(2)20-14(17-11)16(3,4)15(18)19-10-13-8-6-5-7-9-13/h5-9H,10H2,1-4H3.
What are the key properties of benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate?
benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate has a molecular weight of 273.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylpropanoate is sourced from PubChem (CID 170382634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).