2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol

C10H15NO4S — CID 115045575

IUPAC2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol
SMILESO=S1(=O)CCC(c2cnc(CCO)o2)CC1
InChIInChI=1S/C10H15NO4S/c12-4-1-10-11-7-9(15-10)8-2-5-16(13,14)6-3-8/h7-8,12H,1-6H2
InChIKeyZFMDNVLHICOTTP-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.50
Rot. Bonds3

About 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol

2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol (PubChem CID 115045575) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol
PubChem CID115045575
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol
SMILESO=S1(=O)CCC(c2cnc(CCO)o2)CC1
InChIInChI=1S/C10H15NO4S/c12-4-1-10-11-7-9(15-10)8-2-5-16(13,14)6-3-8/h7-8,12H,1-6H2
InChIKeyZFMDNVLHICOTTP-UHFFFAOYSA-N
XLogP0.50
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol with MolForge

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Related Compounds

3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
CID 115034079
3-[5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187171
3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
CID 115042041
[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol
CID 115016406
(5-piperidin-4-yl-1,3-oxazol-2-yl)methanol
CID 115016152
(2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 97061610
2-[2-(3-chloropropyl)-1,3-oxazol-5-yl]thiane 1,1-dioxide
CID 104522599
2-[5-(3-methylcyclobutyl)-1,3-oxazol-2-yl]ethanamine
CID 164660372
2-[5-(1,1-dioxothian-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 115045595
2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole
CID 164660300
3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115045574
[5-(1,1-dioxothian-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115038282

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol?
The IUPAC name of 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol (CID 115045575) is 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol?
The canonical SMILES for 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol is O=S1(=O)CCC(c2cnc(CCO)o2)CC1.
What is the InChIKey of 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol?
The InChIKey is ZFMDNVLHICOTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-4-1-10-11-7-9(15-10)8-2-5-16(13,14)6-3-8/h7-8,12H,1-6H2.
What are the key properties of 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol?
2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol has a molecular weight of 245.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol is sourced from PubChem (CID 115045575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).