5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C13H8F2N4O2S — CID 91169921

IUPAC5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H8F2N4O2S/c14-6-1-2-8(7(15)5-6)18-12(20)9-10(19-21-11(9)16)13-17-3-4-22-13/h1-5H,16H2,(H,18,20)
InChIKeyJJVFQKGWVUTHEC-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.91
Rot. Bonds3

About 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 91169921) has the molecular formula C13H8F2N4O2S and a molecular weight of 322.30 g/mol. Its IUPAC name is 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID91169921
Molecular FormulaC13H8F2N4O2S
Molecular Weight322.30 g/mol
Exact Mass322.03
IUPAC Name5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H8F2N4O2S/c14-6-1-2-8(7(15)5-6)18-12(20)9-10(19-21-11(9)16)13-17-3-4-22-13/h1-5H,16H2,(H,18,20)
InChIKeyJJVFQKGWVUTHEC-UHFFFAOYSA-N
XLogP2.91
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 91169921) is 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Nc1onc(-c2nccs2)c1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is JJVFQKGWVUTHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O2S/c14-6-1-2-8(7(15)5-6)18-12(20)9-10(19-21-11(9)16)13-17-3-4-22-13/h1-5H,16H2,(H,18,20).
What are the key properties of 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 322.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91169921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).