2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole

C23H24F2N2O2 — CID 45212654

IUPAC2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C23H24F2N2O2/c1-16-22(26-23(29-16)18-10-19(24)12-20(25)11-18)14-27-9-5-8-21(13-27)28-15-17-6-3-2-4-7-17/h2-4,6-7,10-12,21H,5,8-9,13-15H2,1H3
InChIKeyPXBAILQTWZAPIG-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.11
Rot. Bonds6

About 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole

2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 45212654) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID45212654
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC Name2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C23H24F2N2O2/c1-16-22(26-23(29-16)18-10-19(24)12-20(25)11-18)14-27-9-5-8-21(13-27)28-15-17-6-3-2-4-7-17/h2-4,6-7,10-12,21H,5,8-9,13-15H2,1H3
InChIKeyPXBAILQTWZAPIG-UHFFFAOYSA-N
XLogP5.11
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45214788
1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56755911
2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 45213463
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 30956715
N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 56743211
5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 164641050
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42100915
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (CID 45212654) is 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCC(OCc2ccccc2)C1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is PXBAILQTWZAPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c1-16-22(26-23(29-16)18-10-19(24)12-20(25)11-18)14-27-9-5-8-21(13-27)28-15-17-6-3-2-4-7-17/h2-4,6-7,10-12,21H,5,8-9,13-15H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 398.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 45212654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).