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

C8H5Cl2NOS — CID 22009585

IUPAC4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole
SMILESClCc1coc(-c2sccc2Cl)n1
InChIInChI=1S/C8H5Cl2NOS/c9-3-5-4-12-8(11-5)7-6(10)1-2-13-7/h1-2,4H,3H2
InChIKeyYFZJLIKSAIAEMP-UHFFFAOYSA-N
MW234.11 g/mol
LogP3.80
Rot. Bonds2

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

4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole (PubChem CID 22009585) has the molecular formula C8H5Cl2NOS and a molecular weight of 234.11 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole
PubChem CID22009585
Molecular FormulaC8H5Cl2NOS
Molecular Weight234.11 g/mol
Exact Mass232.95
IUPAC Name4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole
SMILESClCc1coc(-c2sccc2Cl)n1
InChIInChI=1S/C8H5Cl2NOS/c9-3-5-4-12-8(11-5)7-6(10)1-2-13-7/h1-2,4H,3H2
InChIKeyYFZJLIKSAIAEMP-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 53.80
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-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 80641432
4-(chloromethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole
CID 81119798
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
4-(chloromethyl)-2-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazole
CID 103404233
4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
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2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
CID 107991092
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole
CID 174979017
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65287912
4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
CID 82125800
N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79975719
[2-[4-(aminomethyl)-1,3-oxazol-2-yl]phenyl]methanamine;[2-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]methanamine
CID 174901363

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole (CID 22009585) is 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole is ClCc1coc(-c2sccc2Cl)n1.
What is the InChIKey of 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole?
The InChIKey is YFZJLIKSAIAEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NOS/c9-3-5-4-12-8(11-5)7-6(10)1-2-13-7/h1-2,4H,3H2.
What are the key properties of 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole?
4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole has a molecular weight of 234.11 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 22009585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).