N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

C19H31N3O3 — CID 42768823

IUPACN-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCCCCCN(CC(=O)Nc1cc(C)on1)C(=O)C1CCCCC1
InChIInChI=1S/C19H31N3O3/c1-3-4-5-9-12-22(19(24)16-10-7-6-8-11-16)14-18(23)20-17-13-15(2)25-21-17/h13,16H,3-12,14H2,1-2H3,(H,20,21,23)
InChIKeyWAPVSKXYFRPZSX-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.91
Rot. Bonds9

About N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 42768823) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID42768823
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCCCCCN(CC(=O)Nc1cc(C)on1)C(=O)C1CCCCC1
InChIInChI=1S/C19H31N3O3/c1-3-4-5-9-12-22(19(24)16-10-7-6-8-11-16)14-18(23)20-17-13-15(2)25-21-17/h13,16H,3-12,14H2,1-2H3,(H,20,21,23)
InChIKeyWAPVSKXYFRPZSX-UHFFFAOYSA-N
XLogP3.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
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

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 3357458
2-[cyclohexanecarbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]ethyl-diethylazanium
CID 7263209
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 813521
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 4197817
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768746
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)cyclopentanecarboxamide
CID 7360968
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3653296
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 5064786

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 42768823) is N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is CCCCCCN(CC(=O)Nc1cc(C)on1)C(=O)C1CCCCC1.
What is the InChIKey of N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is WAPVSKXYFRPZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-3-4-5-9-12-22(19(24)16-10-7-6-8-11-16)14-18(23)20-17-13-15(2)25-21-17/h13,16H,3-12,14H2,1-2H3,(H,20,21,23).
What are the key properties of N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 42768823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).