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

C18H20N4O5 — CID 135099312

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

3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 135099312) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
• PubChem CID: 135099312
• Molecular Formula: C18H20N4O5
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.14
• IUPAC Name: 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
• SMILES: Cc1ccc2oc(=O)n(CCC(=O)NCc3noc(C4CCCO4)n3)c2c1
• InChI: InChI=1S/C18H20N4O5/c1-11-4-5-13-12(9-11)22(18(24)26-13)7-6-16(23)19-10-15-20-17(27-21-15)14-3-2-8-25-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,19,23)
• InChIKey: INIHPJOIAKTXNY-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 112.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 135099312) is 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.

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

The canonical SMILES for 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is Cc1ccc2oc(=O)n(CCC(=O)NCc3noc(C4CCCO4)n3)c2c1.

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

The InChIKey is INIHPJOIAKTXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-11-4-5-13-12(9-11)22(18(24)26-13)7-6-16(23)19-10-15-20-17(27-21-15)14-3-2-8-25-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,19,23).

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

3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 372.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 135099312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).