N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide

C14H20N6O3 — CID 56802761

About N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide

N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide (PubChem CID 56802761) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
• PubChem CID: 56802761
• Molecular Formula: C14H20N6O3
• Molecular Weight: 320.35 g/mol
• Exact Mass: 320.16
• IUPAC Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
• SMILES: Cc1cc(NC(=O)C(C)N2CCOC(Cn3cncn3)C2)on1
• InChI: InChI=1S/C14H20N6O3/c1-10-5-13(23-18-10)17-14(21)11(2)19-3-4-22-12(6-19)7-20-9-15-8-16-20/h5,8-9,11-12H,3-4,6-7H2,1-2H3,(H,17,21)
• InChIKey: GOOIXLIKKCBGSR-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.35
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide?

The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide (CID 56802761) is N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide.

What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide?

The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide is Cc1cc(NC(=O)C(C)N2CCOC(Cn3cncn3)C2)on1.

What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide?

The InChIKey is GOOIXLIKKCBGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-10-5-13(23-18-10)17-14(21)11(2)19-3-4-22-12(6-19)7-20-9-15-8-16-20/h5,8-9,11-12H,3-4,6-7H2,1-2H3,(H,17,21).

What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide?

N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide has a molecular weight of 320.35 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 56802761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).