2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid

C17H20N4O6 — CID 23196761

IUPAC2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C3OCCN3C(=O)O)cc2C(=O)O)NC1=O
InChIInChI=1S/C17H20N4O6/c1-8(2)17(3)15(24)19-12(20-17)11-10(14(22)23)6-9(7-18-11)13-21(16(25)26)4-5-27-13/h6-8,13H,4-5H2,1-3H3,(H,22,23)(H,25,26)(H,19,20,24)
InChIKeyNCNNDTVIFZUHJD-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.08
Rot. Bonds4

About 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid

2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 23196761) has the molecular formula C17H20N4O6 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID23196761
Molecular FormulaC17H20N4O6
Molecular Weight376.37 g/mol
Exact Mass376.14
IUPAC Name2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C3OCCN3C(=O)O)cc2C(=O)O)NC1=O
InChIInChI=1S/C17H20N4O6/c1-8(2)17(3)15(24)19-12(20-17)11-10(14(22)23)6-9(7-18-11)13-21(16(25)26)4-5-27-13/h6-8,13H,4-5H2,1-3H3,(H,22,23)(H,25,26)(H,19,20,24)
InChIKeyNCNNDTVIFZUHJD-UHFFFAOYSA-N
XLogP1.08
TPSA141.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid (CID 23196761) is 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid is CC(C)C1(C)N=C(c2ncc(C3OCCN3C(=O)O)cc2C(=O)O)NC1=O.
What is the InChIKey of 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is NCNNDTVIFZUHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6/c1-8(2)17(3)15(24)19-12(20-17)11-10(14(22)23)6-9(7-18-11)13-21(16(25)26)4-5-27-13/h6-8,13H,4-5H2,1-3H3,(H,22,23)(H,25,26)(H,19,20,24).
What are the key properties of 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 376.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carboxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 23196761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).