5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one

C13H14N2O4 — CID 110773942

IUPAC5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-12(15-3-5-18-6-4-15)8-9-1-2-11-10(7-9)14-13(17)19-11/h1-2,7H,3-6,8H2,(H,14,17)
InChIKeyJEJOBAVWDOEOSY-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.52
Rot. Bonds2

About 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one

5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 110773942) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
PubChem CID110773942
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-12(15-3-5-18-6-4-15)8-9-1-2-11-10(7-9)14-13(17)19-11/h1-2,7H,3-6,8H2,(H,14,17)
InChIKeyJEJOBAVWDOEOSY-UHFFFAOYSA-N
XLogP0.52
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 110799951
5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one
CID 110803928
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390433
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
6-[4-(2-phenylacetyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400141
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one
CID 117293232
5-(piperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 82062834
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774013

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one (CID 110773942) is 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one is O=C(Cc1ccc2oc(=O)[nH]c2c1)N1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is JEJOBAVWDOEOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12(15-3-5-18-6-4-15)8-9-1-2-11-10(7-9)14-13(17)19-11/h1-2,7H,3-6,8H2,(H,14,17).
What are the key properties of 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one?
5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 262.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110773942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).