2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole

C18H18N2O3 — CID 25110438

IUPAC2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
SMILESCCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC
InChIInChI=1S/C18H18N2O3/c1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13/h5-12H,3-4H2,1-2H3
InChIKeyJBYQGTSMKFBZHS-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.20
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole (PubChem CID 25110438) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
PubChem CID25110438
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
SMILESCCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC
InChIInChI=1S/C18H18N2O3/c1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13/h5-12H,3-4H2,1-2H3
InChIKeyJBYQGTSMKFBZHS-UHFFFAOYSA-N
XLogP4.20
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole (CID 25110438) is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole is CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole?
The InChIKey is JBYQGTSMKFBZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole?
2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole has a molecular weight of 310.35 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 25110438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).