5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile

C9H10N4O2 — CID 168700027

IUPAC5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2CC(N)CC2=O)c1C#N
InChIInChI=1S/C9H10N4O2/c1-5-7(3-10)9(15-12-5)13-4-6(11)2-8(13)14/h6H,2,4,11H2,1H3
InChIKeyQUGIGKURLIHGAH-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.08
Rot. Bonds1

About 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile

5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile (PubChem CID 168700027) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
PubChem CID168700027
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2CC(N)CC2=O)c1C#N
InChIInChI=1S/C9H10N4O2/c1-5-7(3-10)9(15-12-5)13-4-6(11)2-8(13)14/h6H,2,4,11H2,1H3
InChIKeyQUGIGKURLIHGAH-UHFFFAOYSA-N
XLogP-0.08
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile (CID 168700027) is 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile is Cc1noc(N2CC(N)CC2=O)c1C#N.
What is the InChIKey of 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
The InChIKey is QUGIGKURLIHGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-7(3-10)9(15-12-5)13-4-6(11)2-8(13)14/h6H,2,4,11H2,1H3.
What are the key properties of 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 168700027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).