2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole

C11H8BrN3O — CID 17325385

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole
SMILESCn1ncc(Br)c1-c1nc2ccccc2o1
InChIInChI=1S/C11H8BrN3O/c1-15-10(7(12)6-13-15)11-14-8-4-2-3-5-9(8)16-11/h2-6H,1H3
InChIKeyTWPOLUHXOXMGRS-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.99
Rot. Bonds1

About 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole

2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole (PubChem CID 17325385) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole
PubChem CID17325385
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole
SMILESCn1ncc(Br)c1-c1nc2ccccc2o1
InChIInChI=1S/C11H8BrN3O/c1-15-10(7(12)6-13-15)11-14-8-4-2-3-5-9(8)16-11/h2-6H,1H3
InChIKeyTWPOLUHXOXMGRS-UHFFFAOYSA-N
XLogP2.99
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-bromoethyl)phenyl]-1,3-benzoxazole
CID 23459165
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
CID 23269767
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
CID 129148229
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-1,3-benzoxazol-2-amine
CID 11562338
1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 114635081

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole (CID 17325385) is 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole is Cn1ncc(Br)c1-c1nc2ccccc2o1.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole?
The InChIKey is TWPOLUHXOXMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c1-15-10(7(12)6-13-15)11-14-8-4-2-3-5-9(8)16-11/h2-6H,1H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole?
2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole has a molecular weight of 278.11 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 17325385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).