5-morpholin-3-yl-3H-1,3-benzoxazol-2-one

C11H12N2O3 — CID 116963142

IUPAC5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C3COCCN3)ccc2o1
InChIInChI=1S/C11H12N2O3/c14-11-13-8-5-7(1-2-10(8)16-11)9-6-15-4-3-12-9/h1-2,5,9,12H,3-4,6H2,(H,13,14)
InChIKeyUIHIXGMKFKTQHP-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.78
Rot. Bonds1

About 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one

5-morpholin-3-yl-3H-1,3-benzoxazol-2-one (PubChem CID 116963142) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
PubChem CID116963142
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C3COCCN3)ccc2o1
InChIInChI=1S/C11H12N2O3/c14-11-13-8-5-7(1-2-10(8)16-11)9-6-15-4-3-12-9/h1-2,5,9,12H,3-4,6H2,(H,13,14)
InChIKeyUIHIXGMKFKTQHP-UHFFFAOYSA-N
XLogP0.78
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
CID 116829287
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
CID 116980073
5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
CID 116981155
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
CID 116980196
2-chloro-4-morpholin-3-ylphenol
CID 82613251
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
3-(6-bromonaphthalen-2-yl)morpholine
CID 175413265

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one (CID 116963142) is 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(C3COCCN3)ccc2o1.
What is the InChIKey of 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is UIHIXGMKFKTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11-13-8-5-7(1-2-10(8)16-11)9-6-15-4-3-12-9/h1-2,5,9,12H,3-4,6H2,(H,13,14).
What are the key properties of 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one?
5-morpholin-3-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-3-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116963142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).