1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol

C14H24N4O10P2S2 — CID 10506474

IUPAC1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol
SMILESCCOP(=O)(OCC)Sc1nnc(C(O)C(O)c2nnc(SP(=O)(OCC)OCC)o2)o1
InChIInChI=1S/C14H24N4O10P2S2/c1-5-23-29(21,24-6-2)31-13-17-15-11(27-13)9(19)10(20)12-16-18-14(28-12)32-30(22,25-7-3)26-8-4/h9-10,19-20H,5-8H2,1-4H3
InChIKeyMGBWJYGYCGHHJF-UHFFFAOYSA-N
MW534.45 g/mol
LogP3.77
Rot. Bonds15

About 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol

1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol (PubChem CID 10506474) has the molecular formula C14H24N4O10P2S2 and a molecular weight of 534.45 g/mol. Its IUPAC name is 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol
PubChem CID10506474
Molecular FormulaC14H24N4O10P2S2
Molecular Weight534.45 g/mol
Exact Mass534.04
IUPAC Name1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol
SMILESCCOP(=O)(OCC)Sc1nnc(C(O)C(O)c2nnc(SP(=O)(OCC)OCC)o2)o1
InChIInChI=1S/C14H24N4O10P2S2/c1-5-23-29(21,24-6-2)31-13-17-15-11(27-13)9(19)10(20)12-16-18-14(28-12)32-30(22,25-7-3)26-8-4/h9-10,19-20H,5-8H2,1-4H3
InChIKeyMGBWJYGYCGHHJF-UHFFFAOYSA-N
XLogP3.77
TPSA189.36 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol 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

2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole
CID 10505615
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol
CID 116995970
2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 43148603
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
CID 4917220
4-diethoxyphosphorylsulfanylbenzonitrile
CID 164685616
methyl 2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006660
(2,2-dihydroxyethylamino)methyl diethyl phosphate
CID 175376160
(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 9170516
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol (CID 10506474) is 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol is CCOP(=O)(OCC)Sc1nnc(C(O)C(O)c2nnc(SP(=O)(OCC)OCC)o2)o1.
What is the InChIKey of 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol?
The InChIKey is MGBWJYGYCGHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O10P2S2/c1-5-23-29(21,24-6-2)31-13-17-15-11(27-13)9(19)10(20)12-16-18-14(28-12)32-30(22,25-7-3)26-8-4/h9-10,19-20H,5-8H2,1-4H3.
What are the key properties of 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol?
1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol has a molecular weight of 534.45 g/mol, XLogP of 3.77, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol is sourced from PubChem (CID 10506474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).