5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile

C18H18N4O — CID 169259964

IUPAC5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CCCc2ccccc2)oc1N1CCCC1C#N
InChIInChI=1S/C18H18N4O/c19-12-15-9-5-11-22(15)18-16(13-20)21-17(23-18)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-11H2
InChIKeyWAZZOWLWIOQNOW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.21
Rot. Bonds5

About 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile

5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile (PubChem CID 169259964) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile
PubChem CID169259964
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CCCc2ccccc2)oc1N1CCCC1C#N
InChIInChI=1S/C18H18N4O/c19-12-15-9-5-11-22(15)18-16(13-20)21-17(23-18)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-11H2
InChIKeyWAZZOWLWIOQNOW-UHFFFAOYSA-N
XLogP3.21
TPSA76.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile (CID 169259964) is 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(CCCc2ccccc2)oc1N1CCCC1C#N.
What is the InChIKey of 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is WAZZOWLWIOQNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-12-15-9-5-11-22(15)18-16(13-20)21-17(23-18)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-11H2.
What are the key properties of 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile?
5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanopyrrolidin-1-yl)-2-(3-phenylpropyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 169259964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).