2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

C16H27N4O4+ — CID 6946209

IUPAC2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
SMILESCc1cc(NC(=O)CN(CC[NH+]2CCOCC2)C(=O)C(C)C)no1
InChIInChI=1S/C16H26N4O4/c1-12(2)16(22)20(5-4-19-6-8-23-9-7-19)11-15(21)17-14-10-13(3)24-18-14/h10,12H,4-9,11H2,1-3H3,(H,17,18,21)/p+1
InChIKeyDHZRDPTYNVKPPH-UHFFFAOYSA-O
MW339.42 g/mol
LogP-0.68
Rot. Bonds7

About 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide (PubChem CID 6946209) has the molecular formula C16H27N4O4+ and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
PubChem CID6946209
Molecular FormulaC16H27N4O4+
Molecular Weight339.42 g/mol
Exact Mass339.20
IUPAC Name2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
SMILESCc1cc(NC(=O)CN(CC[NH+]2CCOCC2)C(=O)C(C)C)no1
InChIInChI=1S/C16H26N4O4/c1-12(2)16(22)20(5-4-19-6-8-23-9-7-19)11-15(21)17-14-10-13(3)24-18-14/h10,12H,4-9,11H2,1-3H3,(H,17,18,21)/p+1
InChIKeyDHZRDPTYNVKPPH-UHFFFAOYSA-O
XLogP-0.68
TPSA89.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
The IUPAC name of 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide (CID 6946209) is 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
The canonical SMILES for 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide is Cc1cc(NC(=O)CN(CC[NH+]2CCOCC2)C(=O)C(C)C)no1.
What is the InChIKey of 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
The InChIKey is DHZRDPTYNVKPPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26N4O4/c1-12(2)16(22)20(5-4-19-6-8-23-9-7-19)11-15(21)17-14-10-13(3)24-18-14/h10,12H,4-9,11H2,1-3H3,(H,17,18,21)/p+1.
What are the key properties of 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide?
2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide has a molecular weight of 339.42 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide is sourced from PubChem (CID 6946209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).