1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

C23H23N3O4 — CID 24791446

IUPAC1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)cc1
InChIInChI=1S/C23H23N3O4/c1-16(27)17-2-4-20(5-3-17)29-15-21-14-22(25-30-21)23(28)26-12-8-19(9-13-26)18-6-10-24-11-7-18/h2-7,10-11,14,19H,8-9,12-13,15H2,1H3
InChIKeyXFDGYNPNDPMEQH-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.87
Rot. Bonds6

About 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 24791446) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
PubChem CID24791446
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)cc1
InChIInChI=1S/C23H23N3O4/c1-16(27)17-2-4-20(5-3-17)29-15-21-14-22(25-30-21)23(28)26-12-8-19(9-13-26)18-6-10-24-11-7-18/h2-7,10-11,14,19H,8-9,12-13,15H2,1H3
InChIKeyXFDGYNPNDPMEQH-UHFFFAOYSA-N
XLogP3.87
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (CID 24791446) is 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)cc1.
What is the InChIKey of 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is XFDGYNPNDPMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16(27)17-2-4-20(5-3-17)29-15-21-14-22(25-30-21)23(28)26-12-8-19(9-13-26)18-6-10-24-11-7-18/h2-7,10-11,14,19H,8-9,12-13,15H2,1H3.
What are the key properties of 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 405.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-pyridin-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 24791446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).