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

C10H7BrClNO — CID 121205083

IUPAC5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2ncc(CBr)o2)cc1
InChIInChI=1S/C10H7BrClNO/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKeyYJIWRDDPAXMLMG-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.89
Rot. Bonds2

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

5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole (PubChem CID 121205083) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
PubChem CID121205083
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2ncc(CBr)o2)cc1
InChIInChI=1S/C10H7BrClNO/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKeyYJIWRDDPAXMLMG-UHFFFAOYSA-N
XLogP3.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.89
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

2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 57076907
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole
CID 164658936
2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
CID 57270447
4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzonitrile
CID 624441
2-[2-(4-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087329
[2-(4-fluorophenyl)-1,3-oxazol-5-yl]methanamine
CID 82075704
5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole
CID 12995330
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
4-[5-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzonitrile
CID 135029537
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole (CID 121205083) is 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole is Clc1ccc(-c2ncc(CBr)o2)cc1.
What is the InChIKey of 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is YJIWRDDPAXMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2.
What are the key properties of 5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole?
5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 272.53 g/mol, XLogP of 3.89, 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)-1,3-oxazole is sourced from PubChem (CID 121205083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).