2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole

C25H25FN2O2 — CID 42455200

IUPAC2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C25H25FN2O2/c1-17-23(27-24(30-17)20-8-7-19(29-2)15-22(20)26)16-28-13-11-25(12-14-28)10-9-18-5-3-4-6-21(18)25/h3-10,15H,11-14,16H2,1-2H3
InChIKeyXJHGZJDXTORAQC-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.36
Rot. Bonds4

About 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole

2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole (PubChem CID 42455200) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
PubChem CID42455200
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C25H25FN2O2/c1-17-23(27-24(30-17)20-8-7-19(29-2)15-22(20)26)16-28-13-11-25(12-14-28)10-9-18-5-3-4-6-21(18)25/h3-10,15H,11-14,16H2,1-2H3
InChIKeyXJHGZJDXTORAQC-UHFFFAOYSA-N
XLogP5.36
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56870077
2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 26322515
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42358517
(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
4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56756467
[4-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 26396934
1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 30979223
1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 23961281
(2S,6R)-4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 29258727

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole (CID 42455200) is 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole is COc1ccc(-c2nc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
The InChIKey is XJHGZJDXTORAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-17-23(27-24(30-17)20-8-7-19(29-2)15-22(20)26)16-28-13-11-25(12-14-28)10-9-18-5-3-4-6-21(18)25/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole has a molecular weight of 404.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 42455200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).