ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite

C22H28N3O9P — CID 144656972

IUPACethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite
SMILESCC.COc1cc(-c2ccc(N3CC(COP(O)O)OC3=O)nc2)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C20H22N3O9P.C2H6/c1-29-17-6-12(2-4-16(17)22-8-14(10-24)31-19(22)25)13-3-5-18(21-7-13)23-9-15(32-20(23)26)11-30-33(27)28;1-2/h2-7,14-15,24,27-28H,8-11H2,1H3;1-2H3
InChIKeyXCRUAPLZKOJCIF-UHFFFAOYSA-N
MW509.45 g/mol
LogP2.65
Rot. Bonds8

About ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite

ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite (PubChem CID 144656972) has the molecular formula C22H28N3O9P and a molecular weight of 509.45 g/mol. Its IUPAC name is ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite.

Molecular Properties

Compound Nameethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite
PubChem CID144656972
Molecular FormulaC22H28N3O9P
Molecular Weight509.45 g/mol
Exact Mass509.16
IUPAC Nameethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite
SMILESCC.COc1cc(-c2ccc(N3CC(COP(O)O)OC3=O)nc2)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C20H22N3O9P.C2H6/c1-29-17-6-12(2-4-16(17)22-8-14(10-24)31-19(22)25)13-3-5-18(21-7-13)23-9-15(32-20(23)26)11-30-33(27)28;1-2/h2-7,14-15,24,27-28H,8-11H2,1H3;1-2H3
InChIKeyXCRUAPLZKOJCIF-UHFFFAOYSA-N
XLogP2.65
TPSA151.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite 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

1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 144656961
3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 144656957
(5R)-5-(azidomethyl)-3-[4-[4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-oxazolidin-2-one
CID 10027664
(3R,3aS)-3-(hydroxymethyl)-7-[6-[(5S)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
CID 71601236
3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608820
(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 70050434
5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 130413931
(5R)-3-[2,3-difluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56928300
(1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid
CID 123340364
5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 67608405
(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
CID 70195308
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891

Frequently Asked Questions

What is the IUPAC name of ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite?
The IUPAC name of ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite (CID 144656972) is ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite.
What is the SMILES notation for ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite?
The canonical SMILES for ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite is CC.COc1cc(-c2ccc(N3CC(COP(O)O)OC3=O)nc2)ccc1N1CC(CO)OC1=O.
What is the InChIKey of ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite?
The InChIKey is XCRUAPLZKOJCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N3O9P.C2H6/c1-29-17-6-12(2-4-16(17)22-8-14(10-24)31-19(22)25)13-3-5-18(21-7-13)23-9-15(32-20(23)26)11-30-33(27)28;1-2/h2-7,14-15,24,27-28H,8-11H2,1H3;1-2H3.
What are the key properties of ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite?
ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite has a molecular weight of 509.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite is sourced from PubChem (CID 144656972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).