[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C22H24F3N3O3 — CID 71837795

IUPAC[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1oc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H24F3N3O3/c1-14-18(21(30)27-10-2-3-11-27)26-19(31-14)15-8-12-28(13-9-15)20(29)16-4-6-17(7-5-16)22(23,24)25/h4-7,15H,2-3,8-13H2,1H3
InChIKeyIEUUSOYZGRKLRC-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.26
Rot. Bonds3

About [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 71837795) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID71837795
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1oc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H24F3N3O3/c1-14-18(21(30)27-10-2-3-11-27)26-19(31-14)15-8-12-28(13-9-15)20(29)16-4-6-17(7-5-16)22(23,24)25/h4-7,15H,2-3,8-13H2,1H3
InChIKeyIEUUSOYZGRKLRC-UHFFFAOYSA-N
XLogP4.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-4-{[methyl({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)amino]methyl}pyrrolidin-2-one
CID 16191111
2-methyl-N-(2-oxo-2-phenylethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726935
1-[(5-Fluoro-2-methylphenyl)sulfonyl]-4-[5-methyl-4-(pyrrolidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine
CID 53168511
N-butyl-2-(4-piperidinyl)-5-[3-(trifluoromethyl)phenyl]-4-oxazolecarboxamide
CID 53382902
1-[(2,5-Dimethyl-1,3-oxazol-4-yl)carbonyl]-3-{2-[3-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56865049
N-(3-Fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837574
1-[(2-Chloro-6-fluorophenyl)acetyl]-4-[5-methyl-4-(pyrrolidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine
CID 71837806
(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carbonitrile
CID 169259990
(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 169259996
[5-Methyl-2-(3-phenylpropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 169260042
1-(2,3-Difluorobenzyl)-4-{1-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-3-pyrrolidinyl}piperidine
CID 45180685
4-{[{[2-(2,4-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)amino]methyl}-1-ethyl-2-pyrrolidinone
CID 45229931

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 71837795) is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1oc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is IEUUSOYZGRKLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-14-18(21(30)27-10-2-3-11-27)26-19(31-14)15-8-12-28(13-9-15)20(29)16-4-6-17(7-5-16)22(23,24)25/h4-7,15H,2-3,8-13H2,1H3.
What are the key properties of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 435.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71837795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).