6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C15H17N5O — CID 134700083

IUPAC6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)c1noc([C@@H]2CCCN2c2cccc(C#N)n2)n1
InChIInChI=1S/C15H17N5O/c1-10(2)14-18-15(21-19-14)12-6-4-8-20(12)13-7-3-5-11(9-16)17-13/h3,5,7,10,12H,4,6,8H2,1-2H3/t12-/m0/s1
InChIKeySDYUWHSWHPSMLX-LBPRGKRZSA-N
MW283.34 g/mol
LogP2.80
Rot. Bonds3

About 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile

6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 134700083) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID134700083
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)c1noc([C@@H]2CCCN2c2cccc(C#N)n2)n1
InChIInChI=1S/C15H17N5O/c1-10(2)14-18-15(21-19-14)12-6-4-8-20(12)13-7-3-5-11(9-16)17-13/h3,5,7,10,12H,4,6,8H2,1-2H3/t12-/m0/s1
InChIKeySDYUWHSWHPSMLX-LBPRGKRZSA-N
XLogP2.80
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 133392237
5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 134707242
6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 64589189
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64589835
5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134701097
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 99802734
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 95133379
5-[1-(1,4-dithiepan-6-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 56708926
N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline
CID 53191881
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133392747

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 134700083) is 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile is CC(C)c1noc([C@@H]2CCCN2c2cccc(C#N)n2)n1.
What is the InChIKey of 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is SDYUWHSWHPSMLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(2)14-18-15(21-19-14)12-6-4-8-20(12)13-7-3-5-11(9-16)17-13/h3,5,7,10,12H,4,6,8H2,1-2H3/t12-/m0/s1.
What are the key properties of 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 134700083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).