2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C23H37N3O5 — CID 4676546

IUPAC2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCCCCCCC(=O)N(Cc1nc(C(=O)NCC2CCCO2)co1)CC1CCCO1
InChIInChI=1S/C23H37N3O5/c1-2-3-4-5-6-11-22(27)26(15-19-10-8-13-30-19)16-21-25-20(17-31-21)23(28)24-14-18-9-7-12-29-18/h17-19H,2-16H2,1H3,(H,24,28)
InChIKeyLQKLIENPKBFBAW-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.45
Rot. Bonds13

About 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 4676546) has the molecular formula C23H37N3O5 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID4676546
Molecular FormulaC23H37N3O5
Molecular Weight435.57 g/mol
Exact Mass435.27
IUPAC Name2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCCCCCCC(=O)N(Cc1nc(C(=O)NCC2CCCO2)co1)CC1CCCO1
InChIInChI=1S/C23H37N3O5/c1-2-3-4-5-6-11-22(27)26(15-19-10-8-13-30-19)16-21-25-20(17-31-21)23(28)24-14-18-9-7-12-29-18/h17-19H,2-16H2,1H3,(H,24,28)
InChIKeyLQKLIENPKBFBAW-UHFFFAOYSA-N
XLogP3.45
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4569568
2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 3990997
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654856
2-[[(4-ethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156261
2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4584308
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156748
2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 3396917
2-[[benzyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156932
N-(2-methylpropyl)-2-[[2-[[[(2S)-oxolan-2-yl]methyl-propanoylamino]methyl]pyrrol-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 7301666
[4-[[heptanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate
CID 7414570
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032

Frequently Asked Questions

What is the IUPAC name of 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 4676546) is 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is CCCCCCCC(=O)N(Cc1nc(C(=O)NCC2CCCO2)co1)CC1CCCO1.
What is the InChIKey of 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LQKLIENPKBFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O5/c1-2-3-4-5-6-11-22(27)26(15-19-10-8-13-30-19)16-21-25-20(17-31-21)23(28)24-14-18-9-7-12-29-18/h17-19H,2-16H2,1H3,(H,24,28).
What are the key properties of 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.45, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4676546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).