2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide

C19H28N4O4 — CID 57235407

IUPAC2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide
SMILESCc1coc(N(CCCN(C(=O)C(C)C)c2nc(C)co2)C(=O)C(C)C)n1
InChIInChI=1S/C19H28N4O4/c1-12(2)16(24)22(18-20-14(5)10-26-18)8-7-9-23(17(25)13(3)4)19-21-15(6)11-27-19/h10-13H,7-9H2,1-6H3
InChIKeyBWDFPOPXYXOWEM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.35
Rot. Bonds8

About 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide

2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide (PubChem CID 57235407) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide
PubChem CID57235407
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide
SMILESCc1coc(N(CCCN(C(=O)C(C)C)c2nc(C)co2)C(=O)C(C)C)n1
InChIInChI=1S/C19H28N4O4/c1-12(2)16(24)22(18-20-14(5)10-26-18)8-7-9-23(17(25)13(3)4)19-21-15(6)11-27-19/h10-13H,7-9H2,1-6H3
InChIKeyBWDFPOPXYXOWEM-UHFFFAOYSA-N
XLogP3.35
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide?
The IUPAC name of 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide (CID 57235407) is 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide is Cc1coc(N(CCCN(C(=O)C(C)C)c2nc(C)co2)C(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide?
The InChIKey is BWDFPOPXYXOWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-12(2)16(24)22(18-20-14(5)10-26-18)8-7-9-23(17(25)13(3)4)19-21-15(6)11-27-19/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide?
2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide is sourced from PubChem (CID 57235407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).