3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C14H18N4O2 — CID 99789838

IUPAC3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(CN3CCC[C@H]3C)n2)ccn1
InChIInChI=1S/C14H18N4O2/c1-10-4-3-7-18(10)9-13-16-14(17-20-13)11-5-6-15-12(8-11)19-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m1/s1
InChIKeyBIEOOMAIJMMYEX-SNVBAGLBSA-N
MW274.32 g/mol
LogP2.12
Rot. Bonds4

About 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99789838) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID99789838
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(CN3CCC[C@H]3C)n2)ccn1
InChIInChI=1S/C14H18N4O2/c1-10-4-3-7-18(10)9-13-16-14(17-20-13)11-5-6-15-12(8-11)19-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m1/s1
InChIKeyBIEOOMAIJMMYEX-SNVBAGLBSA-N
XLogP2.12
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 99789838) is 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is COc1cc(-c2noc(CN3CCC[C@H]3C)n2)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BIEOOMAIJMMYEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-4-3-7-18(10)9-13-16-14(17-20-13)11-5-6-15-12(8-11)19-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99789838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).