5-(bromomethyl)-1,3-oxazole

C4H4BrNO — CID 11665457

IUPAC5-(bromomethyl)-1,3-oxazole
SMILESBrCc1cnco1
InChIInChI=1S/C4H4BrNO/c5-1-4-2-6-3-7-4/h2-3H,1H2
InChIKeyGFDMJZUHSLWFNE-UHFFFAOYSA-N
MW161.99 g/mol
LogP1.57
Rot. Bonds1

About 5-(bromomethyl)-1,3-oxazole

5-(bromomethyl)-1,3-oxazole (PubChem CID 11665457) has the molecular formula C4H4BrNO and a molecular weight of 161.99 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-oxazole
PubChem CID11665457
Molecular FormulaC4H4BrNO
Molecular Weight161.99 g/mol
Exact Mass160.95
IUPAC Name5-(bromomethyl)-1,3-oxazole
SMILESBrCc1cnco1
InChIInChI=1S/C4H4BrNO/c5-1-4-2-6-3-7-4/h2-3H,1H2
InChIKeyGFDMJZUHSLWFNE-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-Ethyl-1,3-oxazole
CID 12214113
5-(Chloromethyl)-1,3-oxazole
CID 15290880
5-Ethynyloxazole
CID 17875436
5-(Trifluoromethyl)-1,3-oxazole
CID 54409704
Oxazol-5-ylmethanamine
CID 23404337
5-Methyloxazole
CID 528411
(1,3-Oxazol-5-yl)methanamine hydrochloride
CID 45790095
2-Bromo-5-methyl-1,3-oxazole
CID 71307768
2-Iodo-5-methyl-1,3-oxazole
CID 89688680
2-(Bromomethyl)-5-methyl-1,3-oxazole
CID 89782748
2-Bromo-5-ethyloxazole
CID 105436334
2-Chloro-5-methyl-1,3-oxazole hydrochloride
CID 117587776

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-oxazole?
The IUPAC name of 5-(bromomethyl)-1,3-oxazole (CID 11665457) is 5-(bromomethyl)-1,3-oxazole.
What is the SMILES notation for 5-(bromomethyl)-1,3-oxazole?
The canonical SMILES for 5-(bromomethyl)-1,3-oxazole is BrCc1cnco1.
What is the InChIKey of 5-(bromomethyl)-1,3-oxazole?
The InChIKey is GFDMJZUHSLWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO/c5-1-4-2-6-3-7-4/h2-3H,1H2.
What are the key properties of 5-(bromomethyl)-1,3-oxazole?
5-(bromomethyl)-1,3-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)-1,3-oxazole is sourced from PubChem (CID 11665457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).