4-bromo-3-(3-bromophenyl)-1,2-oxazole

C9H5Br2NO — CID 14372258

IUPAC4-bromo-3-(3-bromophenyl)-1,2-oxazole
SMILESBrc1cccc(-c2nocc2Br)c1
InChIInChI=1S/C9H5Br2NO/c10-7-3-1-2-6(4-7)9-8(11)5-13-12-9/h1-5H
InChIKeyHWYRIGHMDHOIMK-UHFFFAOYSA-N
MW302.95 g/mol
LogP3.87
Rot. Bonds1

About 4-bromo-3-(3-bromophenyl)-1,2-oxazole

4-bromo-3-(3-bromophenyl)-1,2-oxazole (PubChem CID 14372258) has the molecular formula C9H5Br2NO and a molecular weight of 302.95 g/mol. Its IUPAC name is 4-bromo-3-(3-bromophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-3-(3-bromophenyl)-1,2-oxazole
PubChem CID14372258
Molecular FormulaC9H5Br2NO
Molecular Weight302.95 g/mol
Exact Mass300.87
IUPAC Name4-bromo-3-(3-bromophenyl)-1,2-oxazole
SMILESBrc1cccc(-c2nocc2Br)c1
InChIInChI=1S/C9H5Br2NO/c10-7-3-1-2-6(4-7)9-8(11)5-13-12-9/h1-5H
InChIKeyHWYRIGHMDHOIMK-UHFFFAOYSA-N
XLogP3.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.95
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
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3-(3-chlorophenyl)-1,2-oxazol-4-ol
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1-bromo-3-phenylbenzene
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4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine
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5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
4,5-bis(3-bromophenyl)-2-phenyltriazole
CID 141418930
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
2-(3-bromophenyl)pyrimidine
CID 26967381
3-[3-(3-bromophenyl)phenyl]phenol
CID 139685507
[4-(3-bromophenyl)thiadiazol-5-yl]methanamine
CID 65209053
3-(3-bromophenyl)-5-(iodomethyl)-1,2,4-oxadiazole
CID 64787760
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-bromophenyl)-1,2-oxazole?
The IUPAC name of 4-bromo-3-(3-bromophenyl)-1,2-oxazole (CID 14372258) is 4-bromo-3-(3-bromophenyl)-1,2-oxazole.
What is the SMILES notation for 4-bromo-3-(3-bromophenyl)-1,2-oxazole?
The canonical SMILES for 4-bromo-3-(3-bromophenyl)-1,2-oxazole is Brc1cccc(-c2nocc2Br)c1.
What is the InChIKey of 4-bromo-3-(3-bromophenyl)-1,2-oxazole?
The InChIKey is HWYRIGHMDHOIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO/c10-7-3-1-2-6(4-7)9-8(11)5-13-12-9/h1-5H.
What are the key properties of 4-bromo-3-(3-bromophenyl)-1,2-oxazole?
4-bromo-3-(3-bromophenyl)-1,2-oxazole has a molecular weight of 302.95 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-bromophenyl)-1,2-oxazole is sourced from PubChem (CID 14372258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).