1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone

C23H24F4N4O2 — CID 5015413

IUPAC1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1noc(C)c1Cn1ccnc1C1CCN(C(=O)Cc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C23H24F4N4O2/c1-14-18(15(2)33-29-14)13-31-10-7-28-22(31)17-5-8-30(9-6-17)21(32)12-16-3-4-19(20(24)11-16)23(25,26)27/h3-4,7,10-11,17H,5-6,8-9,12-13H2,1-2H3
InChIKeyDIIBDRQTDIBIQQ-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.64
Rot. Bonds5

About 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone

1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 5015413) has the molecular formula C23H24F4N4O2 and a molecular weight of 464.46 g/mol. Its IUPAC name is 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
PubChem CID5015413
Molecular FormulaC23H24F4N4O2
Molecular Weight464.46 g/mol
Exact Mass464.18
IUPAC Name1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1noc(C)c1Cn1ccnc1C1CCN(C(=O)Cc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C23H24F4N4O2/c1-14-18(15(2)33-29-14)13-31-10-7-28-22(31)17-5-8-30(9-6-17)21(32)12-16-3-4-19(20(24)11-16)23(25,26)27/h3-4,7,10-11,17H,5-6,8-9,12-13H2,1-2H3
InChIKeyDIIBDRQTDIBIQQ-UHFFFAOYSA-N
XLogP4.64
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 3252028
tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate
CID 3868150
(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3779683
[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone
CID 3815276
2-(3-fluoro-4-hydroxyphenyl)-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70715056
1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[(3-nitrophenyl)methylidene]butan-1-one
CID 5014567
N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3344255
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
2-(4-aminophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119857160
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
2-(4-chlorophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110646606

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone (CID 5015413) is 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone is Cc1noc(C)c1Cn1ccnc1C1CCN(C(=O)Cc2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DIIBDRQTDIBIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O2/c1-14-18(15(2)33-29-14)13-31-10-7-28-22(31)17-5-8-30(9-6-17)21(32)12-16-3-4-19(20(24)11-16)23(25,26)27/h3-4,7,10-11,17H,5-6,8-9,12-13H2,1-2H3.
What are the key properties of 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 464.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 5015413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).