5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide

C10H6Cl3N3O2 — CID 11702259

IUPAC5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(Cl)cc(Cl)cc2Cl)oc1N
InChIInChI=1S/C10H6Cl3N3O2/c11-3-1-4(12)6(5(13)2-3)10-16-7(8(14)17)9(15)18-10/h1-2H,15H2,(H2,14,17)
InChIKeySJACYVDSSXIGOM-UHFFFAOYSA-N
MW306.54 g/mol
LogP2.98
Rot. Bonds2

About 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide

5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 11702259) has the molecular formula C10H6Cl3N3O2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID11702259
Molecular FormulaC10H6Cl3N3O2
Molecular Weight306.54 g/mol
Exact Mass304.95
IUPAC Name5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(Cl)cc(Cl)cc2Cl)oc1N
InChIInChI=1S/C10H6Cl3N3O2/c11-3-1-4(12)6(5(13)2-3)10-16-7(8(14)17)9(15)18-10/h1-2H,15H2,(H2,14,17)
InChIKeySJACYVDSSXIGOM-UHFFFAOYSA-N
XLogP2.98
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide (CID 11702259) is 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(Cl)cc(Cl)cc2Cl)oc1N.
What is the InChIKey of 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SJACYVDSSXIGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O2/c11-3-1-4(12)6(5(13)2-3)10-16-7(8(14)17)9(15)18-10/h1-2H,15H2,(H2,14,17).
What are the key properties of 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide?
5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 306.54 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,4,6-trichlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11702259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).