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

C16H22N4O2 — CID 94176715

IUPAC2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)c1
InChIInChI=1S/C16H22N4O2/c1-12(16-18-17-13(2)22-16)19-7-9-20(10-8-19)14-5-4-6-15(11-14)21-3/h4-6,11-12H,7-10H2,1-3H3/t12-/m0/s1
InChIKeyIOPXHZZAVTVDEG-LBPRGKRZSA-N
MW302.38 g/mol
LogP2.27
Rot. Bonds4

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

2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 94176715) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID94176715
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)c1
InChIInChI=1S/C16H22N4O2/c1-12(16-18-17-13(2)22-16)19-7-9-20(10-8-19)14-5-4-6-15(11-14)21-3/h4-6,11-12H,7-10H2,1-3H3/t12-/m0/s1
InChIKeyIOPXHZZAVTVDEG-LBPRGKRZSA-N
XLogP2.27
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1R)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579503
2-[(1R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579457
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 71511329
(2R)-1-[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 95325248
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 94176653
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (CID 94176715) is 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is COc1cccc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)c1.
What is the InChIKey of 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is IOPXHZZAVTVDEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(16-18-17-13(2)22-16)19-7-9-20(10-8-19)14-5-4-6-15(11-14)21-3/h4-6,11-12H,7-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 94176715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).