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

C22H24FN3O2 — CID 45251385

IUPAC2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(CN3CCCCC3c3cccnc3)c(C)o2)c1
InChIInChI=1S/C22H24FN3O2/c1-15-20(25-22(28-15)18-12-17(27-2)8-9-19(18)23)14-26-11-4-3-7-21(26)16-6-5-10-24-13-16/h5-6,8-10,12-13,21H,3-4,7,11,14H2,1-2H3
InChIKeyYKFDYNIISANDGW-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.92
Rot. Bonds5

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

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 45251385) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID45251385
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(CN3CCCCC3c3cccnc3)c(C)o2)c1
InChIInChI=1S/C22H24FN3O2/c1-15-20(25-22(28-15)18-12-17(27-2)8-9-19(18)23)14-26-11-4-3-7-21(26)16-6-5-10-24-13-16/h5-6,8-10,12-13,21H,3-4,7,11,14H2,1-2H3
InChIKeyYKFDYNIISANDGW-UHFFFAOYSA-N
XLogP4.92
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45203290
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42288009
5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole
CID 95191595
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42462882
2-(2,4-difluorophenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45212270
7-hydroxy-3-(4-methoxyphenyl)-8-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]chromen-2-one
CID 51824227
(2S,6R)-4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 29258727
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56741138

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole (CID 45251385) is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole is COc1ccc(F)c(-c2nc(CN3CCCCC3c3cccnc3)c(C)o2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is YKFDYNIISANDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-20(25-22(28-15)18-12-17(27-2)8-9-19(18)23)14-26-11-4-3-7-21(26)16-6-5-10-24-13-16/h5-6,8-10,12-13,21H,3-4,7,11,14H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole?
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 381.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 45251385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).