2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C22H26FN3O3 — CID 53168367

IUPAC2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H26FN3O3/c1-15-20(22(28)26-9-2-3-10-26)24-21(29-15)17-7-11-25(12-8-17)19(27)14-16-5-4-6-18(23)13-16/h4-6,13,17H,2-3,7-12,14H2,1H3
InChIKeyQLNRAHRDMLYHEW-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 53168367) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID53168367
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H26FN3O3/c1-15-20(22(28)26-9-2-3-10-26)24-21(29-15)17-7-11-25(12-8-17)19(27)14-16-5-4-6-18(23)13-16/h4-6,13,17H,2-3,7-12,14H2,1H3
InChIKeyQLNRAHRDMLYHEW-UHFFFAOYSA-N
XLogP3.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

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
1-[(5-Fluoro-2-methylphenyl)sulfonyl]-4-[5-methyl-4-(piperidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine
CID 53168519
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
2-{1-[(3-fluoro-2-methylanilino)carbonyl]-4-piperidyl}-N~4~,N~4~,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837610
4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 71837795
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 53168367) is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is Cc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is QLNRAHRDMLYHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-15-20(22(28)26-9-2-3-10-26)24-21(29-15)17-7-11-25(12-8-17)19(27)14-16-5-4-6-18(23)13-16/h4-6,13,17H,2-3,7-12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 399.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53168367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).