4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione

C11H16NO5PS — CID 72820389

IUPAC4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione
SMILESCCOP(=O)(OCC)C1NC(=S)OC1c1ccco1
InChIInChI=1S/C11H16NO5PS/c1-3-15-18(13,16-4-2)10-9(17-11(19)12-10)8-6-5-7-14-8/h5-7,9-10H,3-4H2,1-2H3,(H,12,19)
InChIKeyIOOJQJVFXLZINF-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.82
Rot. Bonds6

About 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione

4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione (PubChem CID 72820389) has the molecular formula C11H16NO5PS and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione
PubChem CID72820389
Molecular FormulaC11H16NO5PS
Molecular Weight305.29 g/mol
Exact Mass305.05
IUPAC Name4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione
SMILESCCOP(=O)(OCC)C1NC(=S)OC1c1ccco1
InChIInChI=1S/C11H16NO5PS/c1-3-15-18(13,16-4-2)10-9(17-11(19)12-10)8-6-5-7-14-8/h5-7,9-10H,3-4H2,1-2H3,(H,12,19)
InChIKeyIOOJQJVFXLZINF-UHFFFAOYSA-N
XLogP2.82
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one
CID 10380171
5-tert-butyl-4-diethoxyphosphoryl-1,3-oxazolidine-2-thione
CID 134985673
3-diethoxyphosphoryl-2-(furan-2-yl)-2,5-dihydro-1,5-benzothiazepine
CID 10618824
(1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
CID 40621139
1-ethyl-2-(furan-2-yl)imidazolidin-4-one
CID 130626514
2-[diethoxyphosphoryl(ethoxy)methyl]furan
CID 71381055
propyl (4R)-4-(furan-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7052989
2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine
CID 72796397
(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol
CID 11299626
[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone
CID 102163838
(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine
CID 12515128
(E)-3-diethoxyphosphoryl-3-(furan-2-yl)prop-2-enoic acid
CID 156598408

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione?
The IUPAC name of 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione (CID 72820389) is 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione is CCOP(=O)(OCC)C1NC(=S)OC1c1ccco1.
What is the InChIKey of 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione?
The InChIKey is IOOJQJVFXLZINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO5PS/c1-3-15-18(13,16-4-2)10-9(17-11(19)12-10)8-6-5-7-14-8/h5-7,9-10H,3-4H2,1-2H3,(H,12,19).
What are the key properties of 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione?
4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione has a molecular weight of 305.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione is sourced from PubChem (CID 72820389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).