3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H25N3O3 — CID 62015887

IUPAC3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCC(CC)N(CCO)CCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H25N3O3/c1-4-12(5-2)17(8-9-18)7-6-14(19)15-13-10-11(3)20-16-13/h10,12,18H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyMTUIJZFBAXICBT-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.79
Rot. Bonds9

About 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 62015887) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID62015887
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCC(CC)N(CCO)CCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H25N3O3/c1-4-12(5-2)17(8-9-18)7-6-14(19)15-13-10-11(3)20-16-13/h10,12,18H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyMTUIJZFBAXICBT-UHFFFAOYSA-N
XLogP1.79
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxyethyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 111423304
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
2-[ethyl(2-hydroxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 111431870
2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
CID 55007447
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111120306
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370392
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 62014316

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 62015887) is 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCC(CC)N(CCO)CCC(=O)Nc1cc(C)on1.
What is the InChIKey of 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is MTUIJZFBAXICBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-12(5-2)17(8-9-18)7-6-14(19)15-13-10-11(3)20-16-13/h10,12,18H,4-9H2,1-3H3,(H,15,16,19).
What are the key properties of 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 283.37 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 62015887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).