3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride

C15H14ClN2O5P — CID 139616432

IUPAC3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride
SMILESO=C(Cl)c1[pH]cccccc(N2CCOC2=O)c1N1CCOC1=O
InChIInChI=1S/C15H14ClN2O5P/c16-13(19)12-11(18-6-8-23-15(18)21)10(4-2-1-3-9-24-12)17-5-7-22-14(17)20/h1-4,9,24H,5-8H2/b2-1-,9-3-,10-4+,12-11+
InChIKeyQBDWYLAACWNXRU-QXICKBDOSA-N
MW368.71 g/mol
LogP3.13
Rot. Bonds3

About 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride

3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride (PubChem CID 139616432) has the molecular formula C15H14ClN2O5P and a molecular weight of 368.71 g/mol. Its IUPAC name is 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride.

Molecular Properties

Compound Name3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride
PubChem CID139616432
Molecular FormulaC15H14ClN2O5P
Molecular Weight368.71 g/mol
Exact Mass368.03
IUPAC Name3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride
SMILESO=C(Cl)c1[pH]cccccc(N2CCOC2=O)c1N1CCOC1=O
InChIInChI=1S/C15H14ClN2O5P/c16-13(19)12-11(18-6-8-23-15(18)21)10(4-2-1-3-9-24-12)17-5-7-22-14(17)20/h1-4,9,24H,5-8H2/b2-1-,9-3-,10-4+,12-11+
InChIKeyQBDWYLAACWNXRU-QXICKBDOSA-N
XLogP3.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.71
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 60617132
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
CID 99927510
2-[2-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609625
4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
CID 107813666
3-(2,6-diethylphenyl)-1,3-oxazolidin-2-one
CID 14120196
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
3-[2-(2-oxo-1,3-oxazolidin-3-yl)phosphinin-3-yl]-1,3-oxazolidin-2-one;hydrochloride
CID 172762384
N-naphthalen-1-yl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460042
3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 135564070
(E)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-enoic acid
CID 115342398

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride?
The IUPAC name of 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride (CID 139616432) is 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride.
What is the SMILES notation for 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride?
The canonical SMILES for 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride is O=C(Cl)c1[pH]cccccc(N2CCOC2=O)c1N1CCOC1=O.
What is the InChIKey of 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride?
The InChIKey is QBDWYLAACWNXRU-QXICKBDOSA-N. The full InChI is InChI=1S/C15H14ClN2O5P/c16-13(19)12-11(18-6-8-23-15(18)21)10(4-2-1-3-9-24-12)17-5-7-22-14(17)20/h1-4,9,24H,5-8H2/b2-1-,9-3-,10-4+,12-11+.
What are the key properties of 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride?
3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride has a molecular weight of 368.71 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-oxo-1,3-oxazolidin-3-yl)-1H-phosphonine-2-carbonyl chloride is sourced from PubChem (CID 139616432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).