4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole

C8H4Br3NOS — CID 107967352

IUPAC4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole
SMILESBrCc1ncoc1-c1cc(Br)sc1Br
InChIInChI=1S/C8H4Br3NOS/c9-2-5-7(13-3-12-5)4-1-6(10)14-8(4)11/h1,3H,2H2
InChIKeyLFZRVALDWSXPOT-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.82
Rot. Bonds2

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

4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole (PubChem CID 107967352) has the molecular formula C8H4Br3NOS and a molecular weight of 401.91 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole
PubChem CID107967352
Molecular FormulaC8H4Br3NOS
Molecular Weight401.91 g/mol
Exact Mass398.76
IUPAC Name4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole
SMILESBrCc1ncoc1-c1cc(Br)sc1Br
InChIInChI=1S/C8H4Br3NOS/c9-2-5-7(13-3-12-5)4-1-6(10)14-8(4)11/h1,3H,2H2
InChIKeyLFZRVALDWSXPOT-UHFFFAOYSA-N
XLogP4.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.82
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

4-(bromomethyl)-5-(2-fluorophenyl)-1,3-oxazole
CID 79154261
4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole
CID 79757737
5-(1-benzothiophen-3-yl)-4-(bromomethyl)-1,3-oxazole
CID 79153243
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359
4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
CID 79153356
4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
CID 79154807
5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine
CID 107967181
4-(bromomethyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 79153466
4-(bromomethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 79153908
N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 107966879
5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 107967239
[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107966911

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole (CID 107967352) is 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole is BrCc1ncoc1-c1cc(Br)sc1Br.
What is the InChIKey of 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole?
The InChIKey is LFZRVALDWSXPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br3NOS/c9-2-5-7(13-3-12-5)4-1-6(10)14-8(4)11/h1,3H,2H2.
What are the key properties of 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole?
4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole has a molecular weight of 401.91 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole is sourced from PubChem (CID 107967352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).