2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile

C16H13N5O2 — CID 86805285

IUPAC2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1CC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C16H13N5O2/c1-11-19-14(7-17)15(8-18)20(11)9-13-10-21(16(22)23-13)12-5-3-2-4-6-12/h2-6,13H,9-10H2,1H3
InChIKeyJRBQCRQXAAIOPQ-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.96
Rot. Bonds3

About 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile

2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile (PubChem CID 86805285) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile
PubChem CID86805285
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1CC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C16H13N5O2/c1-11-19-14(7-17)15(8-18)20(11)9-13-10-21(16(22)23-13)12-5-3-2-4-6-12/h2-6,13H,9-10H2,1H3
InChIKeyJRBQCRQXAAIOPQ-UHFFFAOYSA-N
XLogP1.96
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile (CID 86805285) is 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile is Cc1nc(C#N)c(C#N)n1CC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is JRBQCRQXAAIOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-11-19-14(7-17)15(8-18)20(11)9-13-10-21(16(22)23-13)12-5-3-2-4-6-12/h2-6,13H,9-10H2,1H3.
What are the key properties of 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile?
2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 307.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 86805285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).