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

C13H12N2OS — CID 116831962

IUPAC4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
SMILESCCc1oc(N)nc1-c1csc2ccccc12
InChIInChI=1S/C13H12N2OS/c1-2-10-12(15-13(14)16-10)9-7-17-11-6-4-3-5-8(9)11/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyBITVTSROVXGSJH-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.70
Rot. Bonds2

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

4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine (PubChem CID 116831962) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
PubChem CID116831962
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
SMILESCCc1oc(N)nc1-c1csc2ccccc12
InChIInChI=1S/C13H12N2OS/c1-2-10-12(15-13(14)16-10)9-7-17-11-6-4-3-5-8(9)11/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyBITVTSROVXGSJH-UHFFFAOYSA-N
XLogP3.70
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823524
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 55222097
2-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102006
4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831894
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864381
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
[5-(1-benzothiophen-3-yl)-4-bromo-2-methylpyrazol-3-yl]methanamine
CID 84604894
N-[1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62699797
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853
N-[[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65184230

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine (CID 116831962) is 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine is CCc1oc(N)nc1-c1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine?
The InChIKey is BITVTSROVXGSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-10-12(15-13(14)16-10)9-7-17-11-6-4-3-5-8(9)11/h3-7H,2H2,1H3,(H2,14,15).
What are the key properties of 4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine?
4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 3.70, 2 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)-5-ethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).