2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide

C17H29N3O3 — CID 4242407

IUPAC2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1coc(CN(CCCCC)C(C)=O)n1
InChIInChI=1S/C17H29N3O3/c1-4-6-8-10-18-17(22)15-13-23-16(19-15)12-20(14(3)21)11-9-7-5-2/h13H,4-12H2,1-3H3,(H,18,22)
InChIKeyUBDZXZQIJNGKOO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.13
Rot. Bonds11

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

2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide (PubChem CID 4242407) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
PubChem CID4242407
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1coc(CN(CCCCC)C(C)=O)n1
InChIInChI=1S/C17H29N3O3/c1-4-6-8-10-18-17(22)15-13-23-16(19-15)12-20(14(3)21)11-9-7-5-2/h13H,4-12H2,1-3H3,(H,18,22)
InChIKeyUBDZXZQIJNGKOO-UHFFFAOYSA-N
XLogP3.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 3396917
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654856
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 42766155
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 3990997
2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3902815
2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4584308
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423
2-[[(3-chloro-2,2-dimethylpropanoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3645479
2-[[(4-butylbenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 4044856
2-[[(2-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3891590

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide (CID 4242407) is 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide is CCCCCNC(=O)c1coc(CN(CCCCC)C(C)=O)n1.
What is the InChIKey of 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
The InChIKey is UBDZXZQIJNGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-4-6-8-10-18-17(22)15-13-23-16(19-15)12-20(14(3)21)11-9-7-5-2/h13H,4-12H2,1-3H3,(H,18,22).
What are the key properties of 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4242407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).