3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole

C19H19BrN4O — CID 75286508

IUPAC3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(C)c(C2CC(c3nc(-c4ccccc4Br)no3)NN2)c1
InChIInChI=1S/C19H19BrN4O/c1-11-7-8-12(2)14(9-11)16-10-17(23-22-16)19-21-18(24-25-19)13-5-3-4-6-15(13)20/h3-9,16-17,22-23H,10H2,1-2H3
InChIKeyYDZOEDYFFLDUOX-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.40
Rot. Bonds3

About 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole

3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 75286508) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
PubChem CID75286508
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(C)c(C2CC(c3nc(-c4ccccc4Br)no3)NN2)c1
InChIInChI=1S/C19H19BrN4O/c1-11-7-8-12(2)14(9-11)16-10-17(23-22-16)19-21-18(24-25-19)13-5-3-4-6-15(13)20/h3-9,16-17,22-23H,10H2,1-2H3
InChIKeyYDZOEDYFFLDUOX-UHFFFAOYSA-N
XLogP4.40
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286517
3-(3,5-dimethoxyphenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 74526727
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286521
5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 75286524
(3R,5R)-5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107915084
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107915122
3-(2-bromo-4-methylphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 114015433
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524281
5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 73452956
3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286454
(3R,5R)-5-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103083335
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 66238041

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (CID 75286508) is 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is Cc1ccc(C)c(C2CC(c3nc(-c4ccccc4Br)no3)NN2)c1.
What is the InChIKey of 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is YDZOEDYFFLDUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-11-7-8-12(2)14(9-11)16-10-17(23-22-16)19-21-18(24-25-19)13-5-3-4-6-15(13)20/h3-9,16-17,22-23H,10H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 399.29 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75286508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).