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

C23H28FN3O3 — CID 53168396

IUPAC2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C23H28FN3O3/c1-16-21(23(29)27-10-3-2-4-11-27)25-22(30-16)18-8-12-26(13-9-18)20(28)15-17-6-5-7-19(24)14-17/h5-7,14,18H,2-4,8-13,15H2,1H3
InChIKeyBCRCZIZOKPKWDZ-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.70
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 53168396) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID53168396
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C23H28FN3O3/c1-16-21(23(29)27-10-3-2-4-11-27)25-22(30-16)18-8-12-26(13-9-18)20(28)15-17-6-5-7-19(24)14-17/h5-7,14,18H,2-4,8-13,15H2,1H3
InChIKeyBCRCZIZOKPKWDZ-UHFFFAOYSA-N
XLogP3.70
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 53168396) is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-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-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is Cc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is BCRCZIZOKPKWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16-21(23(29)27-10-3-2-4-11-27)25-22(30-16)18-8-12-26(13-9-18)20(28)15-17-6-5-7-19(24)14-17/h5-7,14,18H,2-4,8-13,15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 413.49 g/mol, XLogP of 3.70, 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-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53168396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).