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

C21H24N4O2 — CID 25346846

IUPAC2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H24N4O2/c1-16(20-22-23-21(27-20)17-8-4-3-5-9-17)24-12-14-25(15-13-24)18-10-6-7-11-19(18)26-2/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1
InChIKeySCMLQHBQRLAQKY-MRXNPFEDSA-N
MW364.45 g/mol
LogP3.63
Rot. Bonds5

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

2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 25346846) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID25346846
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H24N4O2/c1-16(20-22-23-21(27-20)17-8-4-3-5-9-17)24-12-14-25(15-13-24)18-10-6-7-11-19(18)26-2/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1
InChIKeySCMLQHBQRLAQKY-MRXNPFEDSA-N
XLogP3.63
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 25346846) is 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is COc1ccccc1N1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SCMLQHBQRLAQKY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(20-22-23-21(27-20)17-8-4-3-5-9-17)24-12-14-25(15-13-24)18-10-6-7-11-19(18)26-2/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 25346846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).