sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

C19H18N3NaO8 — CID 67905916

IUPACsodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC1ON=C(c2ccccc2)C1C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C19H19N3O8.Na/c1-10-14(15(21-30-10)11-5-3-2-4-6-11)16(24)20-12-9-28-22(17(12)25)19(18(26)27)8-7-13(23)29-19;/h2-6,10,12,14H,7-9H2,1H3,(H,20,24)(H,26,27);/q;+1/p-1/t10?,12-,14?,19?;/m0./s1
InChIKeyONMRHHJXCGKUBC-OHKIKIPRSA-M
MW439.36 g/mol
LogP-4.53
Rot. Bonds5

About sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 67905916) has the molecular formula C19H18N3NaO8 and a molecular weight of 439.36 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID67905916
Molecular FormulaC19H18N3NaO8
Molecular Weight439.36 g/mol
Exact Mass439.10
IUPAC Namesodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC1ON=C(c2ccccc2)C1C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C19H19N3O8.Na/c1-10-14(15(21-30-10)11-5-3-2-4-6-11)16(24)20-12-9-28-22(17(12)25)19(18(26)27)8-7-13(23)29-19;/h2-6,10,12,14H,7-9H2,1H3,(H,20,24)(H,26,27);/q;+1/p-1/t10?,12-,14?,19?;/m0./s1
InChIKeyONMRHHJXCGKUBC-OHKIKIPRSA-M
XLogP-4.53
TPSA146.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 5-4.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 67905916) is sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CC1ON=C(c2ccccc2)C1C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+].
What is the InChIKey of sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is ONMRHHJXCGKUBC-OHKIKIPRSA-M. The full InChI is InChI=1S/C19H19N3O8.Na/c1-10-14(15(21-30-10)11-5-3-2-4-6-11)16(24)20-12-9-28-22(17(12)25)19(18(26)27)8-7-13(23)29-19;/h2-6,10,12,14H,7-9H2,1H3,(H,20,24)(H,26,27);/q;+1/p-1/t10?,12-,14?,19?;/m0./s1.
What are the key properties of sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 439.36 g/mol, XLogP of -4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 67905916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).