4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole

C8H6ClNOS — CID 2529531

IUPAC4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESClCc1coc(-c2cccs2)n1
InChIInChI=1S/C8H6ClNOS/c9-4-6-5-11-8(10-6)7-2-1-3-12-7/h1-3,5H,4H2
InChIKeyUOMYYMAMKHZVSG-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.14
Rot. Bonds2

About 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole

4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 2529531) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID2529531
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESClCc1coc(-c2cccs2)n1
InChIInChI=1S/C8H6ClNOS/c9-4-6-5-11-8(10-6)7-2-1-3-12-7/h1-3,5H,4H2
InChIKeyUOMYYMAMKHZVSG-UHFFFAOYSA-N
XLogP3.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.14
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

2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole
CID 22009585
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 17437492
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole (CID 2529531) is 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole is ClCc1coc(-c2cccs2)n1.
What is the InChIKey of 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is UOMYYMAMKHZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c9-4-6-5-11-8(10-6)7-2-1-3-12-7/h1-3,5H,4H2.
What are the key properties of 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole?
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 199.66 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 2529531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).