5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile

C10H11N3O3 — CID 168662920

IUPAC5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2CC(CO)CC2=O)c1C#N
InChIInChI=1S/C10H11N3O3/c1-6-8(3-11)10(16-12-6)13-4-7(5-14)2-9(13)15/h7,14H,2,4-5H2,1H3
InChIKeyQNBXYQRPIDKTED-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.20
Rot. Bonds2

About 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile

5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile (PubChem CID 168662920) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
PubChem CID168662920
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2CC(CO)CC2=O)c1C#N
InChIInChI=1S/C10H11N3O3/c1-6-8(3-11)10(16-12-6)13-4-7(5-14)2-9(13)15/h7,14H,2,4-5H2,1H3
InChIKeyQNBXYQRPIDKTED-UHFFFAOYSA-N
XLogP0.20
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile (CID 168662920) is 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile is Cc1noc(N2CC(CO)CC2=O)c1C#N.
What is the InChIKey of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The InChIKey is QNBXYQRPIDKTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-8(3-11)10(16-12-6)13-4-7(5-14)2-9(13)15/h7,14H,2,4-5H2,1H3.
What are the key properties of 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 168662920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).