5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C16H19N5O2 — CID 167951118

IUPAC5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc3nccn23)C1
InChIInChI=1S/C16H19N5O2/c1-11-18-16(23-19-11)14-8-13(22-2)10-20(14)9-12-4-3-5-15-17-6-7-21(12)15/h3-7,13-14H,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyYXMHIVQXBXRLGE-ZIAGYGMSSA-N
MW313.36 g/mol
LogP1.99
Rot. Bonds4

About 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 167951118) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID167951118
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc3nccn23)C1
InChIInChI=1S/C16H19N5O2/c1-11-18-16(23-19-11)14-8-13(22-2)10-20(14)9-12-4-3-5-15-17-6-7-21(12)15/h3-7,13-14H,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyYXMHIVQXBXRLGE-ZIAGYGMSSA-N
XLogP1.99
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 167951118) is 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc3nccn23)C1.
What is the InChIKey of 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is YXMHIVQXBXRLGE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-18-16(23-19-11)14-8-13(22-2)10-20(14)9-12-4-3-5-15-17-6-7-21(12)15/h3-7,13-14H,8-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 313.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 167951118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).