4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide

C19H13FN4O2S — CID 176858699

About 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide

4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 176858699) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
• PubChem CID: 176858699
• Molecular Formula: C19H13FN4O2S
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.07
• IUPAC Name: 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
• SMILES: Cc1cccnc1-c1csc(NC(=O)c2ocnc2-c2cccc(F)c2)n1
• InChI: InChI=1S/C19H13FN4O2S/c1-11-4-3-7-21-15(11)14-9-27-19(23-14)24-18(25)17-16(22-10-26-17)12-5-2-6-13(20)8-12/h2-10H,1H3,(H,23,24,25)
• InChIKey: KSKIEQXWGVQCAC-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

The IUPAC name of 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide (CID 176858699) is 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide is Cc1cccnc1-c1csc(NC(=O)c2ocnc2-c2cccc(F)c2)n1.

What is the InChIKey of 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

The InChIKey is KSKIEQXWGVQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-11-4-3-7-21-15(11)14-9-27-19(23-14)24-18(25)17-16(22-10-26-17)12-5-2-6-13(20)8-12/h2-10H,1H3,(H,23,24,25).

What are the key properties of 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176858699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).