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

C20H23N3O2 — CID 95191595

IUPAC5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)o1
InChIInChI=1S/C20H23N3O2/c1-14-8-9-19(24-14)20-22-17(15(2)25-20)13-23-11-4-3-7-18(23)16-6-5-10-21-12-16/h5-6,8-10,12,18H,3-4,7,11,13H2,1-2H3/t18-/m0/s1
InChIKeyATRYBZXWQSRUJA-SFHVURJKSA-N
MW337.42 g/mol
LogP4.67
Rot. Bonds4

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

5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95191595) 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-3-ylpiperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole
PubChem CID95191595
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)o1
InChIInChI=1S/C20H23N3O2/c1-14-8-9-19(24-14)20-22-17(15(2)25-20)13-23-11-4-3-7-18(23)16-6-5-10-21-12-16/h5-6,8-10,12,18H,3-4,7,11,13H2,1-2H3/t18-/m0/s1
InChIKeyATRYBZXWQSRUJA-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-2-ylpiperidin-1-yl]methyl]-1,3-oxazole
CID 42522026
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45251385
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42288009
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 40503258
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole (CID 95191595) is 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole is Cc1ccc(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)o1.
What is the InChIKey of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is ATRYBZXWQSRUJA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-9-19(24-14)20-22-17(15(2)25-20)13-23-11-4-3-7-18(23)16-6-5-10-21-12-16/h5-6,8-10,12,18H,3-4,7,11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-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-3-ylpiperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95191595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).