2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one

C13H15NO3S — CID 139228182

IUPAC2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one
SMILESO=C1CSC(c2ccc(N3CCOCC3)cc2)O1
InChIInChI=1S/C13H15NO3S/c15-12-9-18-13(17-12)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4,13H,5-9H2
InChIKeyOONSWHAEBDCPCI-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one

2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one (PubChem CID 139228182) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one
PubChem CID139228182
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one
SMILESO=C1CSC(c2ccc(N3CCOCC3)cc2)O1
InChIInChI=1S/C13H15NO3S/c15-12-9-18-13(17-12)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4,13H,5-9H2
InChIKeyOONSWHAEBDCPCI-UHFFFAOYSA-N
XLogP1.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 23818738
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
2-(3-hydroxyphenyl)-3-(4-morpholin-4-ylphenyl)-1,3-thiazolidin-4-one
CID 10360916
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
CID 173062181
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one (CID 139228182) is 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one is O=C1CSC(c2ccc(N3CCOCC3)cc2)O1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
The InChIKey is OONSWHAEBDCPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-12-9-18-13(17-12)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4,13H,5-9H2.
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one has a molecular weight of 265.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one is sourced from PubChem (CID 139228182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).