5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

C19H15BrN4O — CID 53138479

IUPAC5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(Cc3ccc(Br)cc3)n2)c1
InChIInChI=1S/C19H15BrN4O/c1-24-17(9-10-21-24)14-3-2-4-15(12-14)19-22-18(25-23-19)11-13-5-7-16(20)8-6-13/h2-10,12H,11H2,1H3
InChIKeyXXXRVSPPSKFKKD-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.49
Rot. Bonds4

About 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138479) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138479
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(Cc3ccc(Br)cc3)n2)c1
InChIInChI=1S/C19H15BrN4O/c1-24-17(9-10-21-24)14-3-2-4-15(12-14)19-22-18(25-23-19)11-13-5-7-16(20)8-6-13/h2-10,12H,11H2,1H3
InChIKeyXXXRVSPPSKFKKD-UHFFFAOYSA-N
XLogP4.49
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-methylphenyl)sulfonylethyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138445
5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138515
4-fluoro-N-[[3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 53138425
5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138468
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 926666
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53138490
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71842832
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138479) is 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is Cn1nccc1-c1cccc(-c2noc(Cc3ccc(Br)cc3)n2)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is XXXRVSPPSKFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-24-17(9-10-21-24)14-3-2-4-15(12-14)19-22-18(25-23-19)11-13-5-7-16(20)8-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 395.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).