benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate

C17H14N2O3 — CID 46201475

IUPACbenzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cn1
InChIInChI=1S/C17H14N2O3/c1-12-7-8-14(9-18-12)16-19-15(11-21-16)17(20)22-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyOPCWWWHZQCUDKI-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.40
Rot. Bonds4

About benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate

benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201475) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate
PubChem CID46201475
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namebenzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cn1
InChIInChI=1S/C17H14N2O3/c1-12-7-8-14(9-18-12)16-19-15(11-21-16)17(20)22-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyOPCWWWHZQCUDKI-UHFFFAOYSA-N
XLogP3.40
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-(6-methyl-3-pyridinyl)-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

Related Compounds

2-(4-Phenylbutoxy)-1-(5-(pyridin-2-yl)oxazol-2-yl)ethanone
CID 16738146
6-(2-(7-Phenylheptanoyl)oxazol-5-yl)nicotinic acid
CID 16110658
Methyl 2-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinate
CID 16110712
Methyl 6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinate
CID 16110713
Methyl 6-(2-(3-(4-phenoxyphenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800000
Methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate
CID 24800514
Methyl 6-(2-(3-(4-(phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800519
(E)-7-[4-(4-Pentylcarbamoyl-oxazol-2-yl)-phenyl]-7-pyridin-3-yl-hept-6-enoic acid
CID 44301194
(E)-7-[4-(4-Benzylcarbamoyl-oxazol-2-yl)-phenyl]-7-pyridin-3-yl-hept-6-enoic acid
CID 15462462
3-Methyl-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)butanoic acid
CID 44419765
4-Methyl-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)pentanoic acid
CID 44419769
2,2-Dimethyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 44419773

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate (CID 46201475) is benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate is Cc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cn1.
What is the InChIKey of benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The InChIKey is OPCWWWHZQCUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-7-8-14(9-18-12)16-19-15(11-21-16)17(20)22-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3.
What are the key properties of benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(6-methyl-3-pyridinyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).