1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile

C17H23N5O — CID 70710699

IUPAC1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile
SMILESCCn1cc(CN2CCCC2c2nc(C(C)C)no2)cc1C#N
InChIInChI=1S/C17H23N5O/c1-4-21-10-13(8-14(21)9-18)11-22-7-5-6-15(22)17-19-16(12(2)3)20-23-17/h8,10,12,15H,4-7,11H2,1-3H3
InChIKeyCPBOKURHHNPQMG-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.22
Rot. Bonds5

About 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile

1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile (PubChem CID 70710699) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile
PubChem CID70710699
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile
SMILESCCn1cc(CN2CCCC2c2nc(C(C)C)no2)cc1C#N
InChIInChI=1S/C17H23N5O/c1-4-21-10-13(8-14(21)9-18)11-22-7-5-6-15(22)17-19-16(12(2)3)20-23-17/h8,10,12,15H,4-7,11H2,1-3H3
InChIKeyCPBOKURHHNPQMG-UHFFFAOYSA-N
XLogP3.22
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile (CID 70710699) is 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile is CCn1cc(CN2CCCC2c2nc(C(C)C)no2)cc1C#N.
What is the InChIKey of 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile?
The InChIKey is CPBOKURHHNPQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-21-10-13(8-14(21)9-18)11-22-7-5-6-15(22)17-19-16(12(2)3)20-23-17/h8,10,12,15H,4-7,11H2,1-3H3.
What are the key properties of 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile?
1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile has a molecular weight of 313.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 70710699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).