2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol

C18H26N4O2 — CID 111489707

IUPAC2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2nnc(-c3ccccc3C)o2)CC1
InChIInChI=1S/C18H26N4O2/c1-3-15(13-23)22-10-8-21(9-11-22)12-17-19-20-18(24-17)16-7-5-4-6-14(16)2/h4-7,15,23H,3,8-13H2,1-2H3
InChIKeyMDBBMJRTAQUADB-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.93
Rot. Bonds6

About 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol

2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol (PubChem CID 111489707) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol
PubChem CID111489707
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2nnc(-c3ccccc3C)o2)CC1
InChIInChI=1S/C18H26N4O2/c1-3-15(13-23)22-10-8-21(9-11-22)12-17-19-20-18(24-17)16-7-5-4-6-14(16)2/h4-7,15,23H,3,8-13H2,1-2H3
InChIKeyMDBBMJRTAQUADB-UHFFFAOYSA-N
XLogP1.93
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol with MolForge

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Related Compounds

1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 111461982
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990244
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
CID 53352461
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489646
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489691
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 22432453
N-[(2R)-butan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682945
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656446

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol (CID 111489707) is 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(Cc2nnc(-c3ccccc3C)o2)CC1.
What is the InChIKey of 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol?
The InChIKey is MDBBMJRTAQUADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-15(13-23)22-10-8-21(9-11-22)12-17-19-20-18(24-17)16-7-5-4-6-14(16)2/h4-7,15,23H,3,8-13H2,1-2H3.
What are the key properties of 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol?
2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol has a molecular weight of 330.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111489707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).