[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

C20H25N5O4 — CID 91946634

IUPAC[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2=NOC(C)(C(=O)N3CCN(Cc4nonc4C)CC3)C2)cc1
InChIInChI=1S/C20H25N5O4/c1-14-18(23-29-21-14)13-24-8-10-25(11-9-24)19(26)20(2)12-17(22-28-20)15-4-6-16(27-3)7-5-15/h4-7H,8-13H2,1-3H3
InChIKeyWFJMWQAQHPLMMG-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.61
Rot. Bonds5

About [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 91946634) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID91946634
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2=NOC(C)(C(=O)N3CCN(Cc4nonc4C)CC3)C2)cc1
InChIInChI=1S/C20H25N5O4/c1-14-18(23-29-21-14)13-24-8-10-25(11-9-24)19(26)20(2)12-17(22-28-20)15-4-6-16(27-3)7-5-15/h4-7H,8-13H2,1-3H3
InChIKeyWFJMWQAQHPLMMG-UHFFFAOYSA-N
XLogP1.61
TPSA93.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 91946021
[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 91946028
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 97465571
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 98882327
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 97465565
[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100815726
[3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 102551798
azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97465323
1-[(4-methoxyphenyl)methyl]-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 118779086
ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate
CID 91776475

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (CID 91946634) is [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is COc1ccc(C2=NOC(C)(C(=O)N3CCN(Cc4nonc4C)CC3)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is WFJMWQAQHPLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-14-18(23-29-21-14)13-24-8-10-25(11-9-24)19(26)20(2)12-17(22-28-20)15-4-6-16(27-3)7-5-15/h4-7H,8-13H2,1-3H3.
What are the key properties of [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 399.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 91946634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).