3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one

C11H9NO3S — CID 2948558

IUPAC3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
SMILESO=C1OCCC1Sc1nc2ccccc2o1
InChIInChI=1S/C11H9NO3S/c13-10-9(5-6-14-10)16-11-12-7-3-1-2-4-8(7)15-11/h1-4,9H,5-6H2
InChIKeyCWEZJROKUANAEZ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.24
Rot. Bonds2

About 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one

3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one (PubChem CID 2948558) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
PubChem CID2948558
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
SMILESO=C1OCCC1Sc1nc2ccccc2o1
InChIInChI=1S/C11H9NO3S/c13-10-9(5-6-14-10)16-11-12-7-3-1-2-4-8(7)15-11/h1-4,9H,5-6H2
InChIKeyCWEZJROKUANAEZ-UHFFFAOYSA-N
XLogP2.24
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one
CID 1289611
3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
CID 4313904
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
(3S)-3-(1,3-benzoxazol-2-ylsulfanyl)thiolane 1,1-dioxide
CID 40557013
(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 135840762
(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 95228208
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564
3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one
CID 166237006
3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyloxolan-2-one
CID 4781341
(3S)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2374368
2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64648781
(3R)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
CID 37080644

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one?
The IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one (CID 2948558) is 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one is O=C1OCCC1Sc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one?
The InChIKey is CWEZJROKUANAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-10-9(5-6-14-10)16-11-12-7-3-1-2-4-8(7)15-11/h1-4,9H,5-6H2.
What are the key properties of 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one?
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one has a molecular weight of 235.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one is sourced from PubChem (CID 2948558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).