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

C8H6ClNOS — CID 82125946

IUPAC4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)s2)co1
InChIInChI=1S/C8H6ClNOS/c1-5-10-6(4-11-5)7-2-3-8(9)12-7/h2-4H,1H3
InChIKeyLVPZRBHLLQZAIU-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.36
Rot. Bonds1

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

4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole (PubChem CID 82125946) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
PubChem CID82125946
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)s2)co1
InChIInChI=1S/C8H6ClNOS/c1-5-10-6(4-11-5)7-2-3-8(9)12-7/h2-4H,1H3
InChIKeyLVPZRBHLLQZAIU-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole (CID 82125946) is 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(Cl)s2)co1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole?
The InChIKey is LVPZRBHLLQZAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c1-5-10-6(4-11-5)7-2-3-8(9)12-7/h2-4H,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole?
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole has a molecular weight of 199.66 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 82125946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).