2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole

C18H19N3O3 — CID 71656991

IUPAC2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole
SMILESCCOc1ccc(-c2nc3ccc([C@@H]4CNCCO4)cc3o2)cn1
InChIInChI=1S/C18H19N3O3/c1-2-22-17-6-4-13(10-20-17)18-21-14-5-3-12(9-15(14)24-18)16-11-19-7-8-23-16/h3-6,9-10,16,19H,2,7-8,11H2,1H3/t16-/m0/s1
InChIKeyKTWURAHJKZUHLR-INIZCTEOSA-N
MW325.37 g/mol
LogP2.95
Rot. Bonds4

About 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole

2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole (PubChem CID 71656991) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole
PubChem CID71656991
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole
SMILESCCOc1ccc(-c2nc3ccc([C@@H]4CNCCO4)cc3o2)cn1
InChIInChI=1S/C18H19N3O3/c1-2-22-17-6-4-13(10-20-17)18-21-14-5-3-12(9-15(14)24-18)16-11-19-7-8-23-16/h3-6,9-10,16,19H,2,7-8,11H2,1H3/t16-/m0/s1
InChIKeyKTWURAHJKZUHLR-INIZCTEOSA-N
XLogP2.95
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole (CID 71656991) is 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole is CCOc1ccc(-c2nc3ccc([C@@H]4CNCCO4)cc3o2)cn1.
What is the InChIKey of 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole?
The InChIKey is KTWURAHJKZUHLR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-22-17-6-4-13(10-20-17)18-21-14-5-3-12(9-15(14)24-18)16-11-19-7-8-23-16/h3-6,9-10,16,19H,2,7-8,11H2,1H3/t16-/m0/s1.
What are the key properties of 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole?
2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole has a molecular weight of 325.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-pyridinyl)-6-[(2R)-morpholin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 71656991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).