5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole

C20H23N3O2 — CID 42522026

IUPAC5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)o1
InChIInChI=1S/C20H23N3O2/c1-14-9-10-19(24-14)20-22-17(15(2)25-20)13-23-12-6-4-8-18(23)16-7-3-5-11-21-16/h3,5,7,9-11,18H,4,6,8,12-13H2,1-2H3/t18-/m0/s1
InChIKeyUGZQFTUOWSHBHX-SFHVURJKSA-N
MW337.42 g/mol
LogP4.67
Rot. Bonds4

About 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 42522026) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole
PubChem CID42522026
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)o1
InChIInChI=1S/C20H23N3O2/c1-14-9-10-19(24-14)20-22-17(15(2)25-20)13-23-12-6-4-8-18(23)16-7-3-5-11-21-16/h3,5,7,9-11,18H,4,6,8,12-13H2,1-2H3/t18-/m0/s1
InChIKeyUGZQFTUOWSHBHX-SFHVURJKSA-N
XLogP4.67
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole
CID 95191595
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 124749238
5-methyl-4-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 35250688
2-[(3S)-1-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 28850812
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95708113

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole (CID 42522026) is 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole is Cc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)o1.
What is the InChIKey of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is UGZQFTUOWSHBHX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-9-10-19(24-14)20-22-17(15(2)25-20)13-23-12-6-4-8-18(23)16-7-3-5-11-21-16/h3,5,7,9-11,18H,4,6,8,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 337.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 42522026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).