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

C22H16N2O4 — CID 46201658

IUPACbenzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C22H16N2O4/c25-22(27-14-16-8-3-1-4-9-16)19-15-26-21(24-19)18-12-7-13-23-20(18)28-17-10-5-2-6-11-17/h1-13,15H,14H2
InChIKeyOYIIJYVNXNZVPX-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.89
Rot. Bonds6

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

benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201658) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate
PubChem CID46201658
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Namebenzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C22H16N2O4/c25-22(27-14-16-8-3-1-4-9-16)19-15-26-21(24-19)18-12-7-13-23-20(18)28-17-10-5-2-6-11-17/h1-13,15H,14H2
InChIKeyOYIIJYVNXNZVPX-UHFFFAOYSA-N
XLogP4.89
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate (CID 46201658) is benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)c1coc(-c2cccnc2Oc2ccccc2)n1.
What is the InChIKey of benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The InChIKey is OYIIJYVNXNZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-22(27-14-16-8-3-1-4-9-16)19-15-26-21(24-19)18-12-7-13-23-20(18)28-17-10-5-2-6-11-17/h1-13,15H,14H2.
What are the key properties of benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-phenoxy-3-pyridinyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).