[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone

C22H23FN2O3S — CID 45182292

IUPAC[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCOc1cc(-c2nc(CN3CCCC(C(=O)c4cccs4)C3)c(C)o2)ccc1F
InChIInChI=1S/C22H23FN2O3S/c1-14-18(24-22(28-14)15-7-8-17(23)19(11-15)27-2)13-25-9-3-5-16(12-25)21(26)20-6-4-10-29-20/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3
InChIKeyMGVWXIXEXLUYQA-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.95
Rot. Bonds6

About [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone

[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 45182292) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
PubChem CID45182292
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCOc1cc(-c2nc(CN3CCCC(C(=O)c4cccs4)C3)c(C)o2)ccc1F
InChIInChI=1S/C22H23FN2O3S/c1-14-18(24-22(28-14)15-7-8-17(23)19(11-15)27-2)13-25-9-3-5-16(12-25)21(26)20-6-4-10-29-20/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3
InChIKeyMGVWXIXEXLUYQA-UHFFFAOYSA-N
XLogP4.95
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860018
N,N-diethyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 45202856
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860021
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
4-[[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]methyl]-2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 25369217
ethyl 1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 45195176

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone (CID 45182292) is [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone is COc1cc(-c2nc(CN3CCCC(C(=O)c4cccs4)C3)c(C)o2)ccc1F.
What is the InChIKey of [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is MGVWXIXEXLUYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-14-18(24-22(28-14)15-7-8-17(23)19(11-15)27-2)13-25-9-3-5-16(12-25)21(26)20-6-4-10-29-20/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3.
What are the key properties of [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 414.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 45182292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).