5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole

C13H15N3O — CID 59522841

IUPAC5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole
SMILESCN1CCC[C@H]1c1cnccc1-c1cnco1
InChIInChI=1S/C13H15N3O/c1-16-6-2-3-12(16)11-7-14-5-4-10(11)13-8-15-9-17-13/h4-5,7-9,12H,2-3,6H2,1H3/t12-/m0/s1
InChIKeyKMZYNCPBDUPEOE-LBPRGKRZSA-N
MW229.28 g/mol
LogP2.50
Rot. Bonds2

About 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole

5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole (PubChem CID 59522841) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole
PubChem CID59522841
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole
SMILESCN1CCC[C@H]1c1cnccc1-c1cnco1
InChIInChI=1S/C13H15N3O/c1-16-6-2-3-12(16)11-7-14-5-4-10(11)13-8-15-9-17-13/h4-5,7-9,12H,2-3,6H2,1H3/t12-/m0/s1
InChIKeyKMZYNCPBDUPEOE-LBPRGKRZSA-N
XLogP2.50
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole?
The IUPAC name of 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole (CID 59522841) is 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole?
The canonical SMILES for 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole is CN1CCC[C@H]1c1cnccc1-c1cnco1.
What is the InChIKey of 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole?
The InChIKey is KMZYNCPBDUPEOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-6-2-3-12(16)11-7-14-5-4-10(11)13-8-15-9-17-13/h4-5,7-9,12H,2-3,6H2,1H3/t12-/m0/s1.
What are the key properties of 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole?
5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole has a molecular weight of 229.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 59522841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).