3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one

C13H14N2O4 — CID 2471104

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-12(14-5-7-18-8-6-14)9-15-10-3-1-2-4-11(10)19-13(15)17/h1-4H,5-9H2
InChIKeyWMQSJGVCFVFHJS-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.45
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one

3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one (PubChem CID 2471104) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
PubChem CID2471104
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-12(14-5-7-18-8-6-14)9-15-10-3-1-2-4-11(10)19-13(15)17/h1-4H,5-9H2
InChIKeyWMQSJGVCFVFHJS-UHFFFAOYSA-N
XLogP0.45
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one (CID 2471104) is 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The InChIKey is WMQSJGVCFVFHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12(14-5-7-18-8-6-14)9-15-10-3-1-2-4-11(10)19-13(15)17/h1-4H,5-9H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one has a molecular weight of 262.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 2471104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).