2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone

C9H11NO3S — CID 106924005

IUPAC2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CSc1ncco1)C1CCOC1
InChIInChI=1S/C9H11NO3S/c11-8(7-1-3-12-5-7)6-14-9-10-2-4-13-9/h2,4,7H,1,3,5-6H2
InChIKeyFYZCAROOYMSMKV-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.37
Rot. Bonds4

About 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone

2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone (PubChem CID 106924005) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone
PubChem CID106924005
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CSc1ncco1)C1CCOC1
InChIInChI=1S/C9H11NO3S/c11-8(7-1-3-12-5-7)6-14-9-10-2-4-13-9/h2,4,7H,1,3,5-6H2
InChIKeyFYZCAROOYMSMKV-UHFFFAOYSA-N
XLogP1.37
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923940
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693508
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanone
CID 104693610
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693415
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693488
2-(3-methylphenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 66087155
2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693468
2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone
CID 61271400
5-bromo-2-methyl-3-[2-oxo-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104751512
5-bromo-3-[2-oxo-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104693559
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129470938

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone (CID 106924005) is 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone is O=C(CSc1ncco1)C1CCOC1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone?
The InChIKey is FYZCAROOYMSMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-8(7-1-3-12-5-7)6-14-9-10-2-4-13-9/h2,4,7H,1,3,5-6H2.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone?
2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone has a molecular weight of 213.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 106924005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).