5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole

C13H10BrN3O — CID 135267660

IUPAC5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole
SMILESCn1nc(-c2cnco2)cc1-c1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O/c1-17-12(9-2-4-10(14)5-3-9)6-11(16-17)13-7-15-8-18-13/h2-8H,1H3
InChIKeyYYVCPNQYRFMWKM-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.50
Rot. Bonds2

About 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole

5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole (PubChem CID 135267660) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole
PubChem CID135267660
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole
SMILESCn1nc(-c2cnco2)cc1-c1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O/c1-17-12(9-2-4-10(14)5-3-9)6-11(16-17)13-7-15-8-18-13/h2-8H,1H3
InChIKeyYYVCPNQYRFMWKM-UHFFFAOYSA-N
XLogP3.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole?
The IUPAC name of 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole (CID 135267660) is 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole is Cn1nc(-c2cnco2)cc1-c1ccc(Br)cc1.
What is the InChIKey of 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole?
The InChIKey is YYVCPNQYRFMWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-17-12(9-2-4-10(14)5-3-9)6-11(16-17)13-7-15-8-18-13/h2-8H,1H3.
What are the key properties of 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole?
5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole has a molecular weight of 304.15 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 135267660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).