5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C16H19BrN4O — CID 120956580

IUPAC5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C16H19BrN4O/c1-21-9-8-18-10-13(21)14-19-15(22-20-14)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,13,18H,6-10H2,1H3
InChIKeySOLADKQGALORJR-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.49
Rot. Bonds3

About 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120956580) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120956580
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C16H19BrN4O/c1-21-9-8-18-10-13(21)14-19-15(22-20-14)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,13,18H,6-10H2,1H3
InChIKeySOLADKQGALORJR-UHFFFAOYSA-N
XLogP2.49
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3-chlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956834
5-[1-(3-methylphenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956347
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282
5-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958308
5-[1-(4-bromophenyl)sulfanylethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959413
3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole
CID 120960751
5-(4-bromo-2-fluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959492
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958625
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120956580) is 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(C2(c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SOLADKQGALORJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-21-9-8-18-10-13(21)14-19-15(22-20-14)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,13,18H,6-10H2,1H3.
What are the key properties of 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 363.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120956580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).