3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol

C10H15NO4S — CID 115045574

IUPAC3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESO=S1(=O)CCC(c2coc(CCCO)n2)C1
InChIInChI=1S/C10H15NO4S/c12-4-1-2-10-11-9(6-15-10)8-3-5-16(13,14)7-8/h6,8,12H,1-5,7H2
InChIKeyRUFOFOXFPQUMDZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.50
Rot. Bonds4

About 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol

3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 115045574) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol
PubChem CID115045574
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESO=S1(=O)CCC(c2coc(CCCO)n2)C1
InChIInChI=1S/C10H15NO4S/c12-4-1-2-10-11-9(6-15-10)8-3-5-16(13,14)7-8/h6,8,12H,1-5,7H2
InChIKeyRUFOFOXFPQUMDZ-UHFFFAOYSA-N
XLogP0.50
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyclopentyl-1,3-oxazol-2-yl)propan-1-ol
CID 115020265
2-[4-(oxan-4-yl)-1,3-oxazol-2-yl]ethanol
CID 115021002
3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115036295
2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115082298
3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine
CID 115026031
[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082131
[4-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methanol
CID 115038257
2-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]acetic acid
CID 115045543
3-(4-piperidin-4-yl-1,3-oxazol-2-yl)propan-1-amine
CID 115026546
3-[[5-[(3R)-1,1-dioxothiolan-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-ol
CID 9389121
5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 64904149
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082018

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol (CID 115045574) is 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol is O=S1(=O)CCC(c2coc(CCCO)n2)C1.
What is the InChIKey of 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is RUFOFOXFPQUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-4-1-2-10-11-9(6-15-10)8-3-5-16(13,14)7-8/h6,8,12H,1-5,7H2.
What are the key properties of 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 245.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 115045574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).