2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

C12H11N3O2 — CID 664655

IUPAC2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCCC1
InChIInChI=1S/C12H11N3O2/c13-8-9-12(15-5-1-2-6-15)17-11(14-9)10-4-3-7-16-10/h3-4,7H,1-2,5-6H2
InChIKeyMMAJLYJNCSDEIK-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.41
Rot. Bonds2

About 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 664655) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID664655
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCCC1
InChIInChI=1S/C12H11N3O2/c13-8-9-12(15-5-1-2-6-15)17-11(14-9)10-4-3-7-16-10/h3-4,7H,1-2,5-6H2
InChIKeyMMAJLYJNCSDEIK-UHFFFAOYSA-N
XLogP2.41
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (CID 664655) is 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCCC1.
What is the InChIKey of 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is MMAJLYJNCSDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-8-9-12(15-5-1-2-6-15)17-11(14-9)10-4-3-7-16-10/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).