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

C13H23N3O3 — CID 111120306

IUPAC2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CCO)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C13H23N3O3/c1-3-4-5-6-16(7-8-17)10-13(18)14-12-9-11(2)19-15-12/h9,17H,3-8,10H2,1-2H3,(H,14,15,18)
InChIKeyVWJBBSWXISLKSF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.41
Rot. Bonds9

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

2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 111120306) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID111120306
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CCO)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C13H23N3O3/c1-3-4-5-6-16(7-8-17)10-13(18)14-12-9-11(2)19-15-12/h9,17H,3-8,10H2,1-2H3,(H,14,15,18)
InChIKeyVWJBBSWXISLKSF-UHFFFAOYSA-N
XLogP1.41
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
2-[hexyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3404528
2-[ethylcarbamoyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3516799
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3653296
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
N-butyl-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 24715040
N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768823
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
CID 5097311
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
CID 5168715

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 111120306) is 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCCN(CCO)CC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VWJBBSWXISLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-4-5-6-16(7-8-17)10-13(18)14-12-9-11(2)19-15-12/h9,17H,3-8,10H2,1-2H3,(H,14,15,18).
What are the key properties of 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 269.34 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 111120306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).