3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C19H28N4O2 — CID 95277612

IUPAC3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN(Cc3ccccc3OC(C)C)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-14(2)24-18-8-6-5-7-17(18)13-22-9-11-23(12-10-22)15(3)19-20-16(4)21-25-19/h5-8,14-15H,9-13H2,1-4H3/t15-/m0/s1
InChIKeySNLKESQHQTZRMN-HNNXBMFYSA-N
MW344.46 g/mol
LogP3.04
Rot. Bonds6

About 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95277612) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95277612
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN(Cc3ccccc3OC(C)C)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-14(2)24-18-8-6-5-7-17(18)13-22-9-11-23(12-10-22)15(3)19-20-16(4)21-25-19/h5-8,14-15H,9-13H2,1-4H3/t15-/m0/s1
InChIKeySNLKESQHQTZRMN-HNNXBMFYSA-N
XLogP3.04
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1R)-1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95336493
5-[(1R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95159071
3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95273332
5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 55574041
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone
CID 110613411
3-methyl-5-[(1R)-1-[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95280155
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 154747097
2-(2-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94818654

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95277612) is 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@H](C)N2CCN(Cc3ccccc3OC(C)C)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is SNLKESQHQTZRMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)24-18-8-6-5-7-17(18)13-22-9-11-23(12-10-22)15(3)19-20-16(4)21-25-19/h5-8,14-15H,9-13H2,1-4H3/t15-/m0/s1.
What are the key properties of 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 344.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95277612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).