5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine

C11H10N2OS — CID 117311098

IUPAC5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc3c2CCS3)on1
InChIInChI=1S/C11H10N2OS/c12-11-6-9(14-13-11)7-2-1-3-10-8(7)4-5-15-10/h1-3,6H,4-5H2,(H2,12,13)
InChIKeyNBBKPDZQNCXGIW-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.57
Rot. Bonds1

About 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine

5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine (PubChem CID 117311098) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine
PubChem CID117311098
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc3c2CCS3)on1
InChIInChI=1S/C11H10N2OS/c12-11-6-9(14-13-11)7-2-1-3-10-8(7)4-5-15-10/h1-3,6H,4-5H2,(H2,12,13)
InChIKeyNBBKPDZQNCXGIW-UHFFFAOYSA-N
XLogP2.57
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine
CID 117305645
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine
CID 117308014
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
CID 117329052
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
2,3-dihydro-1-benzothiophen-4-ol
CID 12937898
5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine
CID 117374896
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
CID 115111733
5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117335998

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine (CID 117311098) is 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine is Nc1cc(-c2cccc3c2CCS3)on1.
What is the InChIKey of 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine?
The InChIKey is NBBKPDZQNCXGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-11-6-9(14-13-11)7-2-1-3-10-8(7)4-5-15-10/h1-3,6H,4-5H2,(H2,12,13).
What are the key properties of 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine?
5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine has a molecular weight of 218.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117311098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).