2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole

C14H24N4O8P2S2 — CID 10505615

IUPAC2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole
SMILESCCOP(=O)(OCC)Sc1nnc(CCc2nnc(SP(=O)(OCC)OCC)o2)o1
InChIInChI=1S/C14H24N4O8P2S2/c1-5-21-27(19,22-6-2)29-13-17-15-11(25-13)9-10-12-16-18-14(26-12)30-28(20,23-7-3)24-8-4/h5-10H2,1-4H3
InChIKeyDBWKUNZCZDAZPM-UHFFFAOYSA-N
MW502.45 g/mol
LogP4.78
Rot. Bonds15

About 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole

2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 10505615) has the molecular formula C14H24N4O8P2S2 and a molecular weight of 502.45 g/mol. Its IUPAC name is 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole
PubChem CID10505615
Molecular FormulaC14H24N4O8P2S2
Molecular Weight502.45 g/mol
Exact Mass502.05
IUPAC Name2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole
SMILESCCOP(=O)(OCC)Sc1nnc(CCc2nnc(SP(=O)(OCC)OCC)o2)o1
InChIInChI=1S/C14H24N4O8P2S2/c1-5-21-27(19,22-6-2)29-13-17-15-11(25-13)9-10-12-16-18-14(26-12)30-28(20,23-7-3)24-8-4/h5-10H2,1-4H3
InChIKeyDBWKUNZCZDAZPM-UHFFFAOYSA-N
XLogP4.78
TPSA148.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol
CID 10506474
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9170702
2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28563549
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 78831817
2-[5-[[5-(2-hydroperoxyethyl)-1,3,4-oxadiazol-2-yl]disulfanyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 20644092
4-diethoxyphosphorylsulfanylbenzonitrile
CID 164685616
tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 937933
2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzaldehyde
CID 23009974
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butylazanium chloride
CID 44661017
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine;hydrochloride
CID 163331262
2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 82490201

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole (CID 10505615) is 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole is CCOP(=O)(OCC)Sc1nnc(CCc2nnc(SP(=O)(OCC)OCC)o2)o1.
What is the InChIKey of 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is DBWKUNZCZDAZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O8P2S2/c1-5-21-27(19,22-6-2)29-13-17-15-11(25-13)9-10-12-16-18-14(26-12)30-28(20,23-7-3)24-8-4/h5-10H2,1-4H3.
What are the key properties of 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole?
2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 502.45 g/mol, XLogP of 4.78, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylsulfanyl-5-[2-(5-diethoxyphosphorylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 10505615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).