5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine

C20H24N6O — CID 95722957

IUPAC5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C20H24N6O/c1-2-10-21-20-22-12-15(13-23-20)14-26-11-6-9-17(26)19-24-18(25-27-19)16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,2,6,9-11,14H2,1H3,(H,21,22,23)/t17-/m1/s1
InChIKeyWLUYMXBXUKTKAB-QGZVFWFLSA-N
MW364.45 g/mol
LogP3.69
Rot. Bonds7

About 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine

5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 95722957) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID95722957
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C20H24N6O/c1-2-10-21-20-22-12-15(13-23-20)14-26-11-6-9-17(26)19-24-18(25-27-19)16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,2,6,9-11,14H2,1H3,(H,21,22,23)/t17-/m1/s1
InChIKeyWLUYMXBXUKTKAB-QGZVFWFLSA-N
XLogP3.69
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-[(2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 77086922
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99952578
N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 162799245
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol
CID 111110264

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (CID 95722957) is 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is WLUYMXBXUKTKAB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-10-21-20-22-12-15(13-23-20)14-26-11-6-9-17(26)19-24-18(25-27-19)16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,2,6,9-11,14H2,1H3,(H,21,22,23)/t17-/m1/s1.
What are the key properties of 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 95722957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).