1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone

C23H24N4O4 — CID 26394752

IUPAC1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc(COc4ccc(C)nc4)on3)CC2)cc1
InChIInChI=1S/C23H24N4O4/c1-16-3-8-20(14-24-16)30-15-21-13-22(25-31-21)23(29)27-11-9-26(10-12-27)19-6-4-18(5-7-19)17(2)28/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyOHAJDFDAUBPPDH-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.12
Rot. Bonds6

About 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 26394752) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID26394752
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc(COc4ccc(C)nc4)on3)CC2)cc1
InChIInChI=1S/C23H24N4O4/c1-16-3-8-20(14-24-16)30-15-21-13-22(25-31-21)23(29)27-11-9-26(10-12-27)19-6-4-18(5-7-19)17(2)28/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyOHAJDFDAUBPPDH-UHFFFAOYSA-N
XLogP3.12
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
azocan-1-yl-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24793926
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7494471
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566485
5-[(4-acetylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791526
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 25369632
1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
CID 42508366
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 26394752) is 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cc(COc4ccc(C)nc4)on3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is OHAJDFDAUBPPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-16-3-8-20(14-24-16)30-15-21-13-22(25-31-21)23(29)27-11-9-26(10-12-27)19-6-4-18(5-7-19)17(2)28/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 420.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 26394752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).