5-(bromomethyl)-1,2-oxazole

C4H4BrNO — CID 10034903

IUPAC5-(bromomethyl)-1,2-oxazole
SMILESBrCc1ccno1
InChIInChI=1S/C4H4BrNO/c5-3-4-1-2-6-7-4/h1-2H,3H2
InChIKeyDKBISLDZVNXIFT-UHFFFAOYSA-N
MW161.99 g/mol
LogP1.57
Rot. Bonds1

About 5-(bromomethyl)-1,2-oxazole

5-(bromomethyl)-1,2-oxazole (PubChem CID 10034903) has the molecular formula C4H4BrNO and a molecular weight of 161.99 g/mol. Its IUPAC name is 5-(bromomethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-1,2-oxazole
PubChem CID10034903
Molecular FormulaC4H4BrNO
Molecular Weight161.99 g/mol
Exact Mass160.95
IUPAC Name5-(bromomethyl)-1,2-oxazole
SMILESBrCc1ccno1
InChIInChI=1S/C4H4BrNO/c5-3-4-1-2-6-7-4/h1-2H,3H2
InChIKeyDKBISLDZVNXIFT-UHFFFAOYSA-N
XLogP1.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.99
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Methylisoxazole
CID 79833
5-(Trifluoromethyl)isoxazole
CID 4463981
4-Bromo-5-methyl-1,2-oxazole
CID 14361578
Isoxazole, 5-ethenyl-
CID 12209481
1-(1,2-Oxazol-5-yl)methanamine
CID 18442594
5-(Fluoromethyl)-1,2-oxazole
CID 19375000
5-(Difluoromethyl)-1,2-oxazole
CID 84647757
5-(Trifluoromethyl)-1,2-oxazole;hydrochloride
CID 176004435
5-Ethynylisoxazole
CID 130608322
5-(Isocyanomethyl)-1,2-oxazole
CID 138967837
5-((Trimethylsilyl)methyl)isoxazole
CID 12529652
(1,2-Oxazol-5-yl)methanethiol
CID 15646082

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-1,2-oxazole (CID 10034903) is 5-(bromomethyl)-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-1,2-oxazole is BrCc1ccno1.
What is the InChIKey of 5-(bromomethyl)-1,2-oxazole?
The InChIKey is DKBISLDZVNXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO/c5-3-4-1-2-6-7-4/h1-2H,3H2.
What are the key properties of 5-(bromomethyl)-1,2-oxazole?
5-(bromomethyl)-1,2-oxazole has a molecular weight of 161.99 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,2-oxazole is sourced from PubChem (CID 10034903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).