5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole

C12H11BrClNO2 — CID 65179645

IUPAC5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCOc1ccc(Br)c(-c2cnc(C(C)Cl)o2)c1
InChIInChI=1S/C12H11BrClNO2/c1-7(14)12-15-6-11(17-12)9-5-8(16-2)3-4-10(9)13/h3-7H,1-2H3
InChIKeyGDGRJHQGIAMKRS-UHFFFAOYSA-N
MW316.58 g/mol
LogP4.41
Rot. Bonds3

About 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole

5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole (PubChem CID 65179645) has the molecular formula C12H11BrClNO2 and a molecular weight of 316.58 g/mol. Its IUPAC name is 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
PubChem CID65179645
Molecular FormulaC12H11BrClNO2
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCOc1ccc(Br)c(-c2cnc(C(C)Cl)o2)c1
InChIInChI=1S/C12H11BrClNO2/c1-7(14)12-15-6-11(17-12)9-5-8(16-2)3-4-10(9)13/h3-7H,1-2H3
InChIKeyGDGRJHQGIAMKRS-UHFFFAOYSA-N
XLogP4.41
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 102885537
2-(2-bromo-5-methoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 43513067
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179702
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
CID 106856290
5-(5-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65180104
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179983
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182601
2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole
CID 93258000

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole?
The IUPAC name of 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole (CID 65179645) is 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole is COc1ccc(Br)c(-c2cnc(C(C)Cl)o2)c1.
What is the InChIKey of 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole?
The InChIKey is GDGRJHQGIAMKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2/c1-7(14)12-15-6-11(17-12)9-5-8(16-2)3-4-10(9)13/h3-7H,1-2H3.
What are the key properties of 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole?
5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole has a molecular weight of 316.58 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole is sourced from PubChem (CID 65179645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).