2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide

C14H23N3O3 — CID 42766155

IUPAC2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN(CCC)C(=O)CC)n1
InChIInChI=1S/C14H23N3O3/c1-4-7-15-14(19)11-10-20-12(16-11)9-17(8-5-2)13(18)6-3/h10H,4-9H2,1-3H3,(H,15,19)
InChIKeyFQUHYKXERSNRHN-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.96
Rot. Bonds8

About 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide

2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 42766155) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID42766155
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN(CCC)C(=O)CC)n1
InChIInChI=1S/C14H23N3O3/c1-4-7-15-14(19)11-10-20-12(16-11)9-17(8-5-2)13(18)6-3/h10H,4-9H2,1-3H3,(H,15,19)
InChIKeyFQUHYKXERSNRHN-UHFFFAOYSA-N
XLogP1.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (CID 42766155) is 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is CCCNC(=O)c1coc(CN(CCC)C(=O)CC)n1.
What is the InChIKey of 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is FQUHYKXERSNRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-7-15-14(19)11-10-20-12(16-11)9-17(8-5-2)13(18)6-3/h10H,4-9H2,1-3H3,(H,15,19).
What are the key properties of 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42766155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).