N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H16N4O4S — CID 47863573

About N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 47863573) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 47863573
• Molecular Formula: C16H16N4O4S
• Molecular Weight: 360.40 g/mol
• Exact Mass: 360.09
• IUPAC Name: N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: Cc1noc(C)c1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1
• InChI: InChI=1S/C16H16N4O4S/c1-9-12(10(2)24-20-9)7-17-14(21)6-11-8-25-16(18-11)19-15(22)13-4-3-5-23-13/h3-5,8H,6-7H2,1-2H3,(H,17,21)(H,18,19,22)
• InChIKey: VYMONQZHTPERSJ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.40
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 47863573) is N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1noc(C)c1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1.

What is the InChIKey of N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is VYMONQZHTPERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-9-12(10(2)24-20-9)7-17-14(21)6-11-8-25-16(18-11)19-15(22)13-4-3-5-23-13/h3-5,8H,6-7H2,1-2H3,(H,17,21)(H,18,19,22).

What are the key properties of N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 47863573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).