5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine

C12H10N2OS — CID 115109627

IUPAC5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESCc1ccc2sc(-c3oncc3N)cc2c1
InChIInChI=1S/C12H10N2OS/c1-7-2-3-10-8(4-7)5-11(16-10)12-9(13)6-14-15-12/h2-6H,13H2,1H3
InChIKeyIHXIMHRENSXDCD-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds1

About 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine

5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (PubChem CID 115109627) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
PubChem CID115109627
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESCc1ccc2sc(-c3oncc3N)cc2c1
InChIInChI=1S/C12H10N2OS/c1-7-2-3-10-8(4-7)5-11(16-10)12-9(13)6-14-15-12/h2-6H,13H2,1H3
InChIKeyIHXIMHRENSXDCD-UHFFFAOYSA-N
XLogP3.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (CID 115109627) is 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is Cc1ccc2sc(-c3oncc3N)cc2c1.
What is the InChIKey of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The InChIKey is IHXIMHRENSXDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-2-3-10-8(4-7)5-11(16-10)12-9(13)6-14-15-12/h2-6H,13H2,1H3.
What are the key properties of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine has a molecular weight of 230.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 115109627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).