4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole

C21H23N3O — CID 11537304

IUPAC4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
SMILESCC1CCCCN1Cc1coc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C21H23N3O/c1-16-5-2-3-12-24(16)14-20-15-25-21(23-20)18-9-7-17(8-10-18)19-6-4-11-22-13-19/h4,6-11,13,15-16H,2-3,5,12,14H2,1H3
InChIKeyDWCMEMKNYOOASW-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.78
Rot. Bonds4

About 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole

4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole (PubChem CID 11537304) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
PubChem CID11537304
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
SMILESCC1CCCCN1Cc1coc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C21H23N3O/c1-16-5-2-3-12-24(16)14-20-15-25-21(23-20)18-9-7-17(8-10-18)19-6-4-11-22-13-19/h4,6-11,13,15-16H,2-3,5,12,14H2,1H3
InChIKeyDWCMEMKNYOOASW-UHFFFAOYSA-N
XLogP4.78
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(2-methylpiperidin-1-yl)butoxy]phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 11857748
2-[4-(3-chloropropoxy)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 59457498
4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]-1,3-oxazole
CID 25204772
[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916281
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]-1,3-oxazole
CID 25204769
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911451
[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926244
3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
CID 45271651
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111106797
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120755807

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole (CID 11537304) is 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole is CC1CCCCN1Cc1coc(-c2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The InChIKey is DWCMEMKNYOOASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-5-2-3-12-24(16)14-20-15-25-21(23-20)18-9-7-17(8-10-18)19-6-4-11-22-13-19/h4,6-11,13,15-16H,2-3,5,12,14H2,1H3.
What are the key properties of 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole has a molecular weight of 333.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 11537304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).