2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole

C19H20N2O3 — CID 163498792

IUPAC2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole
SMILESCCc1cc(C2OCCCO2)cnc1-c1nc2cc(C)ccc2o1
InChIInChI=1S/C19H20N2O3/c1-3-13-10-14(19-22-7-4-8-23-19)11-20-17(13)18-21-15-9-12(2)5-6-16(15)24-18/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyXOEATCNXCWXVEU-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.20
Rot. Bonds3

About 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole

2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole (PubChem CID 163498792) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole
PubChem CID163498792
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole
SMILESCCc1cc(C2OCCCO2)cnc1-c1nc2cc(C)ccc2o1
InChIInChI=1S/C19H20N2O3/c1-3-13-10-14(19-22-7-4-8-23-19)11-20-17(13)18-21-15-9-12(2)5-6-16(15)24-18/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyXOEATCNXCWXVEU-UHFFFAOYSA-N
XLogP4.20
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
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-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole (CID 163498792) is 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole is CCc1cc(C2OCCCO2)cnc1-c1nc2cc(C)ccc2o1.
What is the InChIKey of 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole?
The InChIKey is XOEATCNXCWXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-13-10-14(19-22-7-4-8-23-19)11-20-17(13)18-21-15-9-12(2)5-6-16(15)24-18/h5-6,9-11,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole?
2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole has a molecular weight of 324.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dioxan-2-yl)-3-ethyl-2-pyridinyl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 163498792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).