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

C19H26N4O — CID 51086511

IUPAC3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1CN1CCN(C(C)c2nc(C3CC3)no2)CC1
InChIInChI=1S/C19H26N4O/c1-14-5-3-4-6-17(14)13-22-9-11-23(12-10-22)15(2)19-20-18(21-24-19)16-7-8-16/h3-6,15-16H,7-13H2,1-2H3
InChIKeyCJMZJNHKEUESFQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.13
Rot. Bonds5

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

3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 51086511) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID51086511
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1CN1CCN(C(C)c2nc(C3CC3)no2)CC1
InChIInChI=1S/C19H26N4O/c1-14-5-3-4-6-17(14)13-22-9-11-23(12-10-22)15(2)19-20-18(21-24-19)16-7-8-16/h3-6,15-16H,7-13H2,1-2H3
InChIKeyCJMZJNHKEUESFQ-UHFFFAOYSA-N
XLogP3.13
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 51086511) is 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1ccccc1CN1CCN(C(C)c2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CJMZJNHKEUESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-5-3-4-6-17(14)13-22-9-11-23(12-10-22)15(2)19-20-18(21-24-19)16-7-8-16/h3-6,15-16H,7-13H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 326.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51086511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).