3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole

C25H26N4O — CID 125001551

IUPAC3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccc4ccccc4n3)C2)n1
InChIInChI=1S/C25H26N4O/c1-17-25(18(2)30-28-17)24-9-5-7-21(26-24)14-19-12-13-29(15-19)16-22-11-10-20-6-3-4-8-23(20)27-22/h3-11,19H,12-16H2,1-2H3/t19-/m1/s1
InChIKeySDXUBYLXLUALSD-LJQANCHMSA-N
MW398.51 g/mol
LogP4.97
Rot. Bonds5

About 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole

3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole (PubChem CID 125001551) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
PubChem CID125001551
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccc4ccccc4n3)C2)n1
InChIInChI=1S/C25H26N4O/c1-17-25(18(2)30-28-17)24-9-5-7-21(26-24)14-19-12-13-29(15-19)16-22-11-10-20-6-3-4-8-23(20)27-22/h3-11,19H,12-16H2,1-2H3/t19-/m1/s1
InChIKeySDXUBYLXLUALSD-LJQANCHMSA-N
XLogP4.97
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole with MolForge

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Related Compounds

3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125009384
2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110129417
1-[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124968773
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125017199
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110129102
4-[6-[[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124957980
3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
CID 124990434
(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(1-methylimidazol-4-yl)methyl]morpholine
CID 125017680
4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 124999304
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129306

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole (CID 125001551) is 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole is Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccc4ccccc4n3)C2)n1.
What is the InChIKey of 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
The InChIKey is SDXUBYLXLUALSD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-25(18(2)30-28-17)24-9-5-7-21(26-24)14-19-12-13-29(15-19)16-22-11-10-20-6-3-4-8-23(20)27-22/h3-11,19H,12-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole has a molecular weight of 398.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole is sourced from PubChem (CID 125001551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).