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

C22H37N3O3 — CID 3396917

IUPAC2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1coc(CN(CCCCC)C(=O)C2CCCCC2)n1
InChIInChI=1S/C22H37N3O3/c1-3-5-10-14-23-21(26)19-17-28-20(24-19)16-25(15-11-6-4-2)22(27)18-12-8-7-9-13-18/h17-18H,3-16H2,1-2H3,(H,23,26)
InChIKeyASUQSEXGNBJQQX-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.69
Rot. Bonds12

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

2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide (PubChem CID 3396917) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
PubChem CID3396917
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1coc(CN(CCCCC)C(=O)C2CCCCC2)n1
InChIInChI=1S/C22H37N3O3/c1-3-5-10-14-23-21(26)19-17-28-20(24-19)16-25(15-11-6-4-2)22(27)18-12-8-7-9-13-18/h17-18H,3-16H2,1-2H3,(H,23,26)
InChIKeyASUQSEXGNBJQQX-UHFFFAOYSA-N
XLogP4.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.69
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-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 4242407
methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766681
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654856
methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4539284
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
2-[[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4569568
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-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4676546
N-butyl-2-[[butyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3323759
2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide
CID 97353226
2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 3990997

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide (CID 3396917) is 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide is CCCCCNC(=O)c1coc(CN(CCCCC)C(=O)C2CCCCC2)n1.
What is the InChIKey of 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
The InChIKey is ASUQSEXGNBJQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-3-5-10-14-23-21(26)19-17-28-20(24-19)16-25(15-11-6-4-2)22(27)18-12-8-7-9-13-18/h17-18H,3-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide?
2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 4.69, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3396917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).