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

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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).