2-morpholin-4-yl-1,3-benzoxazole

C11H12N2O2 — CID 589769

IUPAC2-morpholin-4-yl-1,3-benzoxazole
SMILESc1ccc2oc(N3CCOCC3)nc2c1
InChIInChI=1S/C11H12N2O2/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyLOKNGHIFVQILMU-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.66
Rot. Bonds1

About 2-morpholin-4-yl-1,3-benzoxazole

2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 589769) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-benzoxazole
PubChem CID589769
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-morpholin-4-yl-1,3-benzoxazole
SMILESc1ccc2oc(N3CCOCC3)nc2c1
InChIInChI=1S/C11H12N2O2/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyLOKNGHIFVQILMU-UHFFFAOYSA-N
XLogP1.66
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 2-morpholin-4-yl-1,3-benzoxazole (CID 589769) is 2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 2-morpholin-4-yl-1,3-benzoxazole is c1ccc2oc(N3CCOCC3)nc2c1.
What is the InChIKey of 2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is LOKNGHIFVQILMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2.
What are the key properties of 2-morpholin-4-yl-1,3-benzoxazole?
2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 204.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 589769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).