5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide

C12H9N3O2S — CID 11550651

IUPAC5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cc3ccccc3s2)oc1N
InChIInChI=1S/C12H9N3O2S/c13-10(16)9-11(14)17-12(15-9)8-5-6-3-1-2-4-7(6)18-8/h1-5H,14H2,(H2,13,16)
InChIKeyQIZVTVHSGYXTLV-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.24
Rot. Bonds2

About 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide

5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 11550651) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID11550651
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cc3ccccc3s2)oc1N
InChIInChI=1S/C12H9N3O2S/c13-10(16)9-11(14)17-12(15-9)8-5-6-3-1-2-4-7(6)18-8/h1-5H,14H2,(H2,13,16)
InChIKeyQIZVTVHSGYXTLV-UHFFFAOYSA-N
XLogP2.24
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide (CID 11550651) is 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2cc3ccccc3s2)oc1N.
What is the InChIKey of 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is QIZVTVHSGYXTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c13-10(16)9-11(14)17-12(15-9)8-5-6-3-1-2-4-7(6)18-8/h1-5H,14H2,(H2,13,16).
What are the key properties of 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide?
5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-benzothiophen-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11550651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).