2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one

C16H20N4O3 — CID 163467478

IUPAC2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESCc1nc(-c2ccc(O[C@H]3CCN(C(=O)C(C)C)C3)nc2)no1
InChIInChI=1S/C16H20N4O3/c1-10(2)16(21)20-7-6-13(9-20)22-14-5-4-12(8-17-14)15-18-11(3)23-19-15/h4-5,8,10,13H,6-7,9H2,1-3H3/t13-/m0/s1
InChIKeyBTUWAOUAVYIDFJ-ZDUSSCGKSA-N
MW316.36 g/mol
LogP2.08
Rot. Bonds4

About 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one

2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one (PubChem CID 163467478) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
PubChem CID163467478
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESCc1nc(-c2ccc(O[C@H]3CCN(C(=O)C(C)C)C3)nc2)no1
InChIInChI=1S/C16H20N4O3/c1-10(2)16(21)20-7-6-13(9-20)22-14-5-4-12(8-17-14)15-18-11(3)23-19-15/h4-5,8,10,13H,6-7,9H2,1-3H3/t13-/m0/s1
InChIKeyBTUWAOUAVYIDFJ-ZDUSSCGKSA-N
XLogP2.08
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
3-[6-(1-methylsulfonylpyrrolidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461457
(2,5-dimethylfuran-3-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416387
3-[6-[(3R)-1-ethylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162786387
3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461772
(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119065515
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 126780643
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 138020495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one (CID 163467478) is 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one is Cc1nc(-c2ccc(O[C@H]3CCN(C(=O)C(C)C)C3)nc2)no1.
What is the InChIKey of 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The InChIKey is BTUWAOUAVYIDFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)16(21)20-7-6-13(9-20)22-14-5-4-12(8-17-14)15-18-11(3)23-19-15/h4-5,8,10,13H,6-7,9H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one has a molecular weight of 316.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 163467478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).