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

C11H8N2OS — CID 116832461

IUPAC4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2csc3ccccc23)co1
InChIInChI=1S/C11H8N2OS/c12-11-13-9(5-14-11)8-6-15-10-4-2-1-3-7(8)10/h1-6H,(H2,12,13)
InChIKeyMCUZZMCFOULANP-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.14
Rot. Bonds1

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

4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine (PubChem CID 116832461) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
PubChem CID116832461
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2csc3ccccc23)co1
InChIInChI=1S/C11H8N2OS/c12-11-13-9(5-14-11)8-6-15-10-4-2-1-3-7(8)10/h1-6H,(H2,12,13)
InChIKeyMCUZZMCFOULANP-UHFFFAOYSA-N
XLogP3.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
CID 116831962
3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056
[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970243
4-(1-benzothiophen-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867326
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864381
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853
6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823524
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
CID 116897334
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
CID 68910536
4-(1-benzothiophen-3-yl)pyrimidine-2-carbonitrile
CID 116900915

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine (CID 116832461) is 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine is Nc1nc(-c2csc3ccccc23)co1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine?
The InChIKey is MCUZZMCFOULANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c12-11-13-9(5-14-11)8-6-15-10-4-2-1-3-7(8)10/h1-6H,(H2,12,13).
What are the key properties of 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine?
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine has a molecular weight of 216.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116832461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).