2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone

C19H26N4O3 — CID 110613411

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCN(Cc3ccccc3OC(C)C)CC2)no1
InChIInChI=1S/C19H26N4O3/c1-14(2)25-17-7-5-4-6-16(17)13-22-8-10-23(11-9-22)19(24)12-18-20-15(3)26-21-18/h4-7,14H,8-13H2,1-3H3
InChIKeyMMZYEAOOQIOVMD-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.05
Rot. Bonds6

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone

2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 110613411) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID110613411
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCN(Cc3ccccc3OC(C)C)CC2)no1
InChIInChI=1S/C19H26N4O3/c1-14(2)25-17-7-5-4-6-16(17)13-22-8-10-23(11-9-22)19(24)12-18-20-15(3)26-21-18/h4-7,14H,8-13H2,1-3H3
InChIKeyMMZYEAOOQIOVMD-UHFFFAOYSA-N
XLogP2.05
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236
3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95277612
3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 50961018
2-(cyclohexen-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56788449
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56805285
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
1-[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110628515
(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
CID 55916474
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 37216371
1-(2-methylphenyl)sulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 45366345

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone (CID 110613411) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone is Cc1nc(CC(=O)N2CCN(Cc3ccccc3OC(C)C)CC2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is MMZYEAOOQIOVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)25-17-7-5-4-6-16(17)13-22-8-10-23(11-9-22)19(24)12-18-20-15(3)26-21-18/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 358.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110613411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).