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

C17H19F3N2O2 — CID 56870077

IUPAC4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C17H19F3N2O2/c1-11-15(10-22-7-5-17(19,20)6-8-22)21-16(24-11)13-4-3-12(23-2)9-14(13)18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCOOJUWQYWPDFHF-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.03
Rot. Bonds4

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

4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 56870077) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID56870077
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C17H19F3N2O2/c1-11-15(10-22-7-5-17(19,20)6-8-22)21-16(24-11)13-4-3-12(23-2)9-14(13)18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCOOJUWQYWPDFHF-UHFFFAOYSA-N
XLogP4.03
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 42455200
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
2-[(3S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]propan-2-ol
CID 95561078
(3S,4S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 56869789
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42358517
[4-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 26396934
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56754344
(2S,6R)-4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 29258727
4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56756467
3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole
CID 25384324
2-(2-fluoro-5-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole (CID 56870077) is 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)c(F)c1.
What is the InChIKey of 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is COOJUWQYWPDFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11-15(10-22-7-5-17(19,20)6-8-22)21-16(24-11)13-4-3-12(23-2)9-14(13)18/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole?
4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 340.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 56870077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).