2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H13F2N5O2S — CID 31519947

About 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 31519947) has the molecular formula C17H13F2N5O2S and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 31519947
• Molecular Formula: C17H13F2N5O2S
• Molecular Weight: 389.39 g/mol
• Exact Mass: 389.08
• IUPAC Name: 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: Cc1nc(NC(=O)Cc2noc3ccccc23)sc1-c1nccn1C(F)F
• InChI: InChI=1S/C17H13F2N5O2S/c1-9-14(15-20-6-7-24(15)16(18)19)27-17(21-9)22-13(25)8-11-10-4-2-3-5-12(10)26-23-11/h2-7,16H,8H2,1H3,(H,21,22,25)
• InChIKey: ZPPBLOIIKSHUGP-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.39
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 31519947) is 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)Cc2noc3ccccc23)sc1-c1nccn1C(F)F.

What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is ZPPBLOIIKSHUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2S/c1-9-14(15-20-6-7-24(15)16(18)19)27-17(21-9)22-13(25)8-11-10-4-2-3-5-12(10)26-23-11/h2-7,16H,8H2,1H3,(H,21,22,25).

What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 389.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 31519947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).