2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

C19H33N3O3 — CID 3990997

IUPAC2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(CC)Cc1nc(C(=O)NCC)co1
InChIInChI=1S/C19H33N3O3/c1-4-7-8-9-10-11-12-13-18(23)22(6-3)14-17-21-16(15-25-17)19(24)20-5-2/h15H,4-14H2,1-3H3,(H,20,24)
InChIKeyXIFUOQBFSPNUCM-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.91
Rot. Bonds13

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

2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 3990997) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
PubChem CID3990997
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(CC)Cc1nc(C(=O)NCC)co1
InChIInChI=1S/C19H33N3O3/c1-4-7-8-9-10-11-12-13-18(23)22(6-3)14-17-21-16(15-25-17)19(24)20-5-2/h15H,4-14H2,1-3H3,(H,20,24)
InChIKeyXIFUOQBFSPNUCM-UHFFFAOYSA-N
XLogP3.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.91
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-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4584308
N-(2-methylpropyl)-2-[[2-methylpropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3890985
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654856
N-(2-methylpropyl)-2-[[2-methylpropyl(pentanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 5015669
2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4676546
2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 4242407
N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 810648
2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 1195809
2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 42766155
2-[[butanoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 4677141
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
2-[[(2-chloro-4-nitrobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 1195801

Frequently Asked Questions

What is the IUPAC name of 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide (CID 3990997) is 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide is CCCCCCCCCC(=O)N(CC)Cc1nc(C(=O)NCC)co1.
What is the InChIKey of 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is XIFUOQBFSPNUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-4-7-8-9-10-11-12-13-18(23)22(6-3)14-17-21-16(15-25-17)19(24)20-5-2/h15H,4-14H2,1-3H3,(H,20,24).
What are the key properties of 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 3.91, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3990997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).