2-(5-bromo-2-chlorophenyl)-1,3-oxazole

C9H5BrClNO — CID 130839908

IUPAC2-(5-bromo-2-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(Br)cc1-c1ncco1
InChIInChI=1S/C9H5BrClNO/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-5H
InChIKeyKBAYVSXCOBJLPK-UHFFFAOYSA-N
MW258.50 g/mol
LogP3.76
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-1,3-oxazole

2-(5-bromo-2-chlorophenyl)-1,3-oxazole (PubChem CID 130839908) has the molecular formula C9H5BrClNO and a molecular weight of 258.50 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-1,3-oxazole
PubChem CID130839908
Molecular FormulaC9H5BrClNO
Molecular Weight258.50 g/mol
Exact Mass256.92
IUPAC Name2-(5-bromo-2-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(Br)cc1-c1ncco1
InChIInChI=1S/C9H5BrClNO/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-5H
InChIKeyKBAYVSXCOBJLPK-UHFFFAOYSA-N
XLogP3.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole
CID 175068504
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium
CID 175907595
5-chloro-2-(1,3-oxazol-2-yl)aniline
CID 59485553
2-[3,6,8-tris(1,3-oxazol-2-yl)pyren-1-yl]-1,3-oxazole
CID 90336805
[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol
CID 79146085
2-(2-chloro-5-nitrophenyl)-1,3-oxazole;2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1,3-oxazole
CID 87667891
5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179702
5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol
CID 176925914
2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325051
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288466
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-1,3-oxazole (CID 130839908) is 2-(5-bromo-2-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-1,3-oxazole is Clc1ccc(Br)cc1-c1ncco1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-1,3-oxazole?
The InChIKey is KBAYVSXCOBJLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-5H.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-1,3-oxazole?
2-(5-bromo-2-chlorophenyl)-1,3-oxazole has a molecular weight of 258.50 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 130839908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).