1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone

C23H25N3O3 — CID 56662055

IUPAC1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)co2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(27)18-3-7-21(8-4-18)26-13-11-25(12-14-26)15-20-16-29-23(24-20)19-5-9-22(28-2)10-6-19/h3-10,16H,11-15H2,1-2H3
InChIKeyHZQBMPMNYUQLBB-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.88
Rot. Bonds6

About 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 56662055) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID56662055
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)co2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(27)18-3-7-21(8-4-18)26-13-11-25(12-14-26)15-20-16-29-23(24-20)19-5-9-22(28-2)10-6-19/h3-10,16H,11-15H2,1-2H3
InChIKeyHZQBMPMNYUQLBB-UHFFFAOYSA-N
XLogP3.88
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone (CID 56662055) is 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone is COc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)co2)cc1.
What is the InChIKey of 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is HZQBMPMNYUQLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(27)18-3-7-21(8-4-18)26-13-11-25(12-14-26)15-20-16-29-23(24-20)19-5-9-22(28-2)10-6-19/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 391.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 56662055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).