2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile

C8H6N4O2 — CID 145426910

IUPAC2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCOC2=O)n1
InChIInChI=1S/C8H6N4O2/c9-5-6-1-2-10-7(11-6)12-3-4-14-8(12)13/h1-2H,3-4H2
InChIKeyOJNNBYMQNAVZQR-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.30
Rot. Bonds1

About 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile

2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile (PubChem CID 145426910) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile
PubChem CID145426910
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCOC2=O)n1
InChIInChI=1S/C8H6N4O2/c9-5-6-1-2-10-7(11-6)12-3-4-14-8(12)13/h1-2H,3-4H2
InChIKeyOJNNBYMQNAVZQR-UHFFFAOYSA-N
XLogP0.30
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile (CID 145426910) is 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCOC2=O)n1.
What is the InChIKey of 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile?
The InChIKey is OJNNBYMQNAVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-5-6-1-2-10-7(11-6)12-3-4-14-8(12)13/h1-2H,3-4H2.
What are the key properties of 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile?
2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile has a molecular weight of 190.16 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 145426910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).