4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole

C10H10BrNOS — CID 23352157

IUPAC4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CCBr
InChIInChI=1S/C10H10BrNOS/c1-7-8(4-5-11)12-10(13-7)9-3-2-6-14-9/h2-3,6H,4-5H2,1H3
InChIKeyCGJZTQUJIYLOLX-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.65
Rot. Bonds3

About 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole

4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 23352157) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID23352157
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CCBr
InChIInChI=1S/C10H10BrNOS/c1-7-8(4-5-11)12-10(13-7)9-3-2-6-14-9/h2-3,6H,4-5H2,1H3
InChIKeyCGJZTQUJIYLOLX-UHFFFAOYSA-N
XLogP3.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 158381591
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
CID 110641335
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128721
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110641311
2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833688

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole (CID 23352157) is 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole is Cc1oc(-c2cccs2)nc1CCBr.
What is the InChIKey of 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is CGJZTQUJIYLOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-7-8(4-5-11)12-10(13-7)9-3-2-6-14-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 272.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 23352157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).