5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole

C10H9BrClNO — CID 122403574

IUPAC5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=NCC(CBr)O2)cc1
InChIInChI=1S/C10H9BrClNO/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2
InChIKeyRNFKYAARQZBKQB-UHFFFAOYSA-N
MW274.55 g/mol
LogP2.88
Rot. Bonds2

About 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole

5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 122403574) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID122403574
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC Name5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=NCC(CBr)O2)cc1
InChIInChI=1S/C10H9BrClNO/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2
InChIKeyRNFKYAARQZBKQB-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 52.88
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

Oxazole, 2-(4-chlorophenyl)-4,5-dihydro-
CID 244027
2-(4-Chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 639989
(4S,5S)-2-(4-Chloro-phenyl)-5-vinyl-4,5-dihydro-oxazole-4-thiol
CID 44394744
[(4S,5S)-2-(4-Chloro-phenyl)-5-vinyl-4,5-dihydro-oxazol-4-yl]-methanol
CID 44394821
Oxazole, 2-(3-chlorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 10798476
2-(3-Chlorophenyl)-4,5-dihydro-1,3-oxazole
CID 12793307
2-(2-Chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole
CID 164676643
2-(2-Chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole
CID 11984388
5-(Bromomethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 353792
2-(3,4-Dichlorophenyl)-4,5-dihydrooxazole
CID 12793328
2-(4-Chlorophenyl)-4-isopropyl-4,5-dihydrooxazole
CID 21804841
(4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 146470219

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole (CID 122403574) is 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole is Clc1ccc(C2=NCC(CBr)O2)cc1.
What is the InChIKey of 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RNFKYAARQZBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2.
What are the key properties of 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole?
5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 274.55 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 122403574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).