5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole

C14H9BrClNO2 — CID 169336974

IUPAC5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(Br)ccc3o2)cc1Cl
InChIInChI=1S/C14H9BrClNO2/c1-18-12-4-2-8(6-10(12)16)14-17-11-7-9(15)3-5-13(11)19-14/h2-7H,1H3
InChIKeyHVLAYJAIEFJGIA-UHFFFAOYSA-N
MW338.59 g/mol
LogP4.92
Rot. Bonds2

About 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole

5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole (PubChem CID 169336974) has the molecular formula C14H9BrClNO2 and a molecular weight of 338.59 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
PubChem CID169336974
Molecular FormulaC14H9BrClNO2
Molecular Weight338.59 g/mol
Exact Mass336.95
IUPAC Name5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(Br)ccc3o2)cc1Cl
InChIInChI=1S/C14H9BrClNO2/c1-18-12-4-2-8(6-10(12)16)14-17-11-7-9(15)3-5-13(11)19-14/h2-7H,1H3
InChIKeyHVLAYJAIEFJGIA-UHFFFAOYSA-N
XLogP4.92
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
7-bromo-2-(3-chloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690953
2-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]isoindole-1,3-dione
CID 168518766
2-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168609432
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxyphenyl]but-2-ynamide
CID 163584736
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
5-bromo-2-chloro-N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17128584
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
5-bromo-N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-methoxybenzamide
CID 4254210
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole (CID 169336974) is 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole is COc1ccc(-c2nc3cc(Br)ccc3o2)cc1Cl.
What is the InChIKey of 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole?
The InChIKey is HVLAYJAIEFJGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO2/c1-18-12-4-2-8(6-10(12)16)14-17-11-7-9(15)3-5-13(11)19-14/h2-7H,1H3.
What are the key properties of 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole?
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole has a molecular weight of 338.59 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 169336974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).