3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C19H28N4O2 — CID 37201829

IUPAC3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(17-20-18(21-25-17)19(2,3)4)22-10-12-23(13-11-22)15-8-6-7-9-16(15)24-5/h6-9,14H,10-13H2,1-5H3/t14-/m0/s1
InChIKeyNYCLRWPFLULLJD-AWEZNQCLSA-N
MW344.46 g/mol
LogP3.26
Rot. Bonds4

About 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 37201829) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID37201829
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(17-20-18(21-25-17)19(2,3)4)22-10-12-23(13-11-22)15-8-6-7-9-16(15)24-5/h6-9,14H,10-13H2,1-5H3/t14-/m0/s1
InChIKeyNYCLRWPFLULLJD-AWEZNQCLSA-N
XLogP3.26
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 25346846
6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56818248
2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]benzonitrile
CID 94452073
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
CID 20989921
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1443747
2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053061
[1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 56812956
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 37201829) is 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is COc1ccccc1N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1.
What is the InChIKey of 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is NYCLRWPFLULLJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(17-20-18(21-25-17)19(2,3)4)22-10-12-23(13-11-22)15-8-6-7-9-16(15)24-5/h6-9,14H,10-13H2,1-5H3/t14-/m0/s1.
What are the key properties of 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 344.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 37201829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).