N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C14H14N4O4 — CID 119063791

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 119063791) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 119063791
• Molecular Formula: C14H14N4O4
• Molecular Weight: 302.29 g/mol
• Exact Mass: 302.10
• IUPAC Name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• SMILES: Cc1nnc(CNC(=O)C(C)n2c(=O)oc3ccccc32)o1
• InChI: InChI=1S/C14H14N4O4/c1-8(13(19)15-7-12-17-16-9(2)21-12)18-10-5-3-4-6-11(10)22-14(18)20/h3-6,8H,7H2,1-2H3,(H,15,19)
• InChIKey: NJVJWDIHHUXXSV-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 103.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.29
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 119063791) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1nnc(CNC(=O)C(C)n2c(=O)oc3ccccc32)o1.

What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is NJVJWDIHHUXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-8(13(19)15-7-12-17-16-9(2)21-12)18-10-5-3-4-6-11(10)22-14(18)20/h3-6,8H,7H2,1-2H3,(H,15,19).

What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 302.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 119063791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).