4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole

C11H10BrNOS — CID 79154029

IUPAC4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole
SMILESBrCc1ncoc1-c1cc2c(s1)CCC2
InChIInChI=1S/C11H10BrNOS/c12-5-8-11(14-6-13-8)10-4-7-2-1-3-9(7)15-10/h4,6H,1-3,5H2
InChIKeyYQLAQFNDAVFTQC-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.79
Rot. Bonds2

About 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole

4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole (PubChem CID 79154029) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole
PubChem CID79154029
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole
SMILESBrCc1ncoc1-c1cc2c(s1)CCC2
InChIInChI=1S/C11H10BrNOS/c12-5-8-11(14-6-13-8)10-4-7-2-1-3-9(7)15-10/h4,6H,1-3,5H2
InChIKeyYQLAQFNDAVFTQC-UHFFFAOYSA-N
XLogP3.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.79
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

N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145539
N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145636
2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 62726946
4-chloro-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazol-3-amine
CID 79555452
[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 65288902
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 62235343
4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine
CID 79411454
[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326220
2-(3-chloropropyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-oxazole
CID 65179946
4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
CID 79154807
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
CID 83675076
[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660476

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole (CID 79154029) is 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole is BrCc1ncoc1-c1cc2c(s1)CCC2.
What is the InChIKey of 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole?
The InChIKey is YQLAQFNDAVFTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c12-5-8-11(14-6-13-8)10-4-7-2-1-3-9(7)15-10/h4,6H,1-3,5H2.
What are the key properties of 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole?
4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole has a molecular weight of 284.18 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 79154029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).