N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide

C14H24N2O2 — CID 12556899

IUPACN-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCCCN(C(=O)C(C)C)c1nc(C)co1
InChIInChI=1S/C14H24N2O2/c1-5-6-7-8-9-16(13(17)11(2)3)14-15-12(4)10-18-14/h10-11H,5-9H2,1-4H3
InChIKeyGJBHVIXTTFEYRY-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.55
Rot. Bonds7

About N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide

N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide (PubChem CID 12556899) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
PubChem CID12556899
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCCCN(C(=O)C(C)C)c1nc(C)co1
InChIInChI=1S/C14H24N2O2/c1-5-6-7-8-9-16(13(17)11(2)3)14-15-12(4)10-18-14/h10-11H,5-9H2,1-4H3
InChIKeyGJBHVIXTTFEYRY-UHFFFAOYSA-N
XLogP3.55
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide (CID 12556899) is N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide is CCCCCCN(C(=O)C(C)C)c1nc(C)co1.
What is the InChIKey of N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is GJBHVIXTTFEYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-6-7-8-9-16(13(17)11(2)3)14-15-12(4)10-18-14/h10-11H,5-9H2,1-4H3.
What are the key properties of N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 252.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 12556899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).