N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H15N5O3S — CID 90571131

About N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 90571131) has the molecular formula C21H15N5O3S and a molecular weight of 417.45 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
• PubChem CID: 90571131
• Molecular Formula: C21H15N5O3S
• Molecular Weight: 417.45 g/mol
• Exact Mass: 417.09
• IUPAC Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2nc(-c3ccco3)cs2)n1
• InChI: InChI=1S/C21H15N5O3S/c1-13-10-19(26(24-13)21-22-16(12-30-21)17-8-5-9-28-17)23-20(27)15-11-18(29-25-15)14-6-3-2-4-7-14/h2-12H,1H3,(H,23,27)
• InChIKey: WVACXUVBTYLIGV-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.45
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 90571131) is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2nc(-c3ccco3)cs2)n1.

What is the InChIKey of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

The InChIKey is WVACXUVBTYLIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S/c1-13-10-19(26(24-13)21-22-16(12-30-21)17-8-5-9-28-17)23-20(27)15-11-18(29-25-15)14-6-3-2-4-7-14/h2-12H,1H3,(H,23,27).

What are the key properties of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 417.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90571131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).