benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate

C22H16N2O3 — CID 46201521

IUPACbenzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cncc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H16N2O3/c25-22(27-14-16-7-3-1-4-8-16)20-15-26-21(24-20)19-11-18(12-23-13-19)17-9-5-2-6-10-17/h1-13,15H,14H2
InChIKeyBINFNSVLZAFPRO-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.76
Rot. Bonds5

About benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate

benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201521) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate
PubChem CID46201521
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Namebenzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cncc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H16N2O3/c25-22(27-14-16-7-3-1-4-8-16)20-15-26-21(24-20)19-11-18(12-23-13-19)17-9-5-2-6-10-17/h1-13,15H,14H2
InChIKeyBINFNSVLZAFPRO-UHFFFAOYSA-N
XLogP4.76
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate (CID 46201521) is benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)c1coc(-c2cncc(-c3ccccc3)c2)n1.
What is the InChIKey of benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
The InChIKey is BINFNSVLZAFPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-22(27-14-16-7-3-1-4-8-16)20-15-26-21(24-20)19-11-18(12-23-13-19)17-9-5-2-6-10-17/h1-13,15H,14H2.
What are the key properties of benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5-phenyl-3-pyridinyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).