3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole

C17H16N2O2 — CID 71514247

IUPAC3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole
SMILESCCc1cc(-c2cncc(OCc3ccccc3)c2)on1
InChIInChI=1S/C17H16N2O2/c1-2-15-9-17(21-19-15)14-8-16(11-18-10-14)20-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyDTTJWHYACOGKGQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.88
Rot. Bonds5

About 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole

3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole (PubChem CID 71514247) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole
PubChem CID71514247
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole
SMILESCCc1cc(-c2cncc(OCc3ccccc3)c2)on1
InChIInChI=1S/C17H16N2O2/c1-2-15-9-17(21-19-15)14-8-16(11-18-10-14)20-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyDTTJWHYACOGKGQ-UHFFFAOYSA-N
XLogP3.88
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole (CID 71514247) is 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole is CCc1cc(-c2cncc(OCc3ccccc3)c2)on1.
What is the InChIKey of 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole?
The InChIKey is DTTJWHYACOGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-15-9-17(21-19-15)14-8-16(11-18-10-14)20-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole?
3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole has a molecular weight of 280.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 71514247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).