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

C10H15NO4S — CID 115082018

IUPAC1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(O)Cc1coc(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H15NO4S/c1-7(12)4-9-5-15-10(11-9)8-2-3-16(13,14)6-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyXNPXHVAMECBBMO-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.50
Rot. Bonds3

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

1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol (PubChem CID 115082018) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol
PubChem CID115082018
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(O)Cc1coc(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H15NO4S/c1-7(12)4-9-5-15-10(11-9)8-2-3-16(13,14)6-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyXNPXHVAMECBBMO-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

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Related Compounds

2-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]acetic acid
CID 115045543
1-[2-(1,1-dioxothiolan-2-yl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082757
[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082131
2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082683
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082669
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]ethanone
CID 115082603
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115337585
3-(3-chloro-1,2,4-oxadiazol-5-yl)thiolane 1,1-dioxide
CID 112572058
1-[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082210
3-[5-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115048591
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084978
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol?
The IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol (CID 115082018) is 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol is CC(O)Cc1coc(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol?
The InChIKey is XNPXHVAMECBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7(12)4-9-5-15-10(11-9)8-2-3-16(13,14)6-8/h5,7-8,12H,2-4,6H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol?
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol 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 1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol is sourced from PubChem (CID 115082018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).