benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate

C16H12N2O3 — CID 46201477

IUPACbenzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cccnc2)n1
InChIInChI=1S/C16H12N2O3/c19-16(21-10-12-5-2-1-3-6-12)14-11-20-15(18-14)13-7-4-8-17-9-13/h1-9,11H,10H2
InChIKeyCDIKOFLQHOCVMJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.09
Rot. Bonds4

About benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate

benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate (PubChem CID 46201477) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate
PubChem CID46201477
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namebenzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cccnc2)n1
InChIInChI=1S/C16H12N2O3/c19-16(21-10-12-5-2-1-3-6-12)14-11-20-15(18-14)13-7-4-8-17-9-13/h1-9,11H,10H2
InChIKeyCDIKOFLQHOCVMJ-UHFFFAOYSA-N
XLogP3.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate (CID 46201477) is benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)c1coc(-c2cccnc2)n1.
What is the InChIKey of benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate?
The InChIKey is CDIKOFLQHOCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(21-10-12-5-2-1-3-6-12)14-11-20-15(18-14)13-7-4-8-17-9-13/h1-9,11H,10H2.
What are the key properties of benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate?
benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-pyridin-3-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).