propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate

C13H14N2O3 — CID 133063716

IUPACpropan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate
SMILESCC(C)OC(=O)c1cccc(-c2cnc(N)o2)c1
InChIInChI=1S/C13H14N2O3/c1-8(2)17-12(16)10-5-3-4-9(6-10)11-7-15-13(14)18-11/h3-8H,1-2H3,(H2,14,15)
InChIKeyGJSIGKRBZWLQCL-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.49
Rot. Bonds3

About propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate

propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate (PubChem CID 133063716) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate
PubChem CID133063716
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namepropan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate
SMILESCC(C)OC(=O)c1cccc(-c2cnc(N)o2)c1
InChIInChI=1S/C13H14N2O3/c1-8(2)17-12(16)10-5-3-4-9(6-10)11-7-15-13(14)18-11/h3-8H,1-2H3,(H2,14,15)
InChIKeyGJSIGKRBZWLQCL-UHFFFAOYSA-N
XLogP2.49
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-(2-amino-1,3-oxazol-5-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

propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
CID 121231645
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
propan-2-yl 3-[2-(2-phenoxyethyl)tetrazol-5-yl]benzoate
CID 51582592
propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126181380
5-(4-phenylphenyl)-1,3-oxazol-2-amine
CID 82291590
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
propan-2-yl 3-propoxybenzoate
CID 60979538
propan-2-yl 3-[2-(cyanomethyl)tetrazol-5-yl]benzoate
CID 47119752

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate?
The IUPAC name of propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate (CID 133063716) is propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate?
The canonical SMILES for propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate is CC(C)OC(=O)c1cccc(-c2cnc(N)o2)c1.
What is the InChIKey of propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate?
The InChIKey is GJSIGKRBZWLQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(2)17-12(16)10-5-3-4-9(6-10)11-7-15-13(14)18-11/h3-8H,1-2H3,(H2,14,15).
What are the key properties of propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate?
propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate has a molecular weight of 246.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 133063716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).