[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C19H26N4O2 — CID 124993779

About [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 124993779) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
• PubChem CID: 124993779
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
• SMILES: Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1
• InChI: InChI=1S/C19H26N4O2/c1-12(2)16-10-18(25-21-16)19(24)23-7-6-14(11-23)17-9-15(22(4)5)8-13(3)20-17/h8-10,12,14H,6-7,11H2,1-5H3/t14-/m0/s1
• InChIKey: QADXNNSOKBIFOF-AWEZNQCLSA-N
• XLogP: 3.20
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 124993779) is [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

What is the SMILES notation for [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The canonical SMILES for [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1.

What is the InChIKey of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The InChIKey is QADXNNSOKBIFOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)16-10-18(25-21-16)19(24)23-7-6-14(11-23)17-9-15(22(4)5)8-13(3)20-17/h8-10,12,14H,6-7,11H2,1-5H3/t14-/m0/s1.

What are the key properties of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 124993779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).