5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C14H18N4O — CID 120959013

IUPAC5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)14-16-13(17-19-14)12-9-15-7-8-18(12)2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyHYEXRWFNEONLEH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.62
Rot. Bonds2

About 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120959013) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120959013
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)14-16-13(17-19-14)12-9-15-7-8-18(12)2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyHYEXRWFNEONLEH-UHFFFAOYSA-N
XLogP1.62
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282
5-[2-[(2-methylphenyl)methoxy]phenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961282
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
3-(1-methylpiperazin-2-yl)-5-quinolin-8-yl-1,2,4-oxadiazole
CID 120956638
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478
5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958592
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120959013) is 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is HYEXRWFNEONLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)14-16-13(17-19-14)12-9-15-7-8-18(12)2/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120959013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).