N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide

C18H28N2O4 — CID 44580445

IUPACN-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
SMILESCCCCCCNC(=O)c1cc(CCCCC2CCC(=O)O2)on1
InChIInChI=1S/C18H28N2O4/c1-2-3-4-7-12-19-18(22)16-13-15(24-20-16)9-6-5-8-14-10-11-17(21)23-14/h13-14H,2-12H2,1H3,(H,19,22)
InChIKeyGWFWOUPZBIYALN-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.40
Rot. Bonds11

About N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide

N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide (PubChem CID 44580445) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
PubChem CID44580445
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
SMILESCCCCCCNC(=O)c1cc(CCCCC2CCC(=O)O2)on1
InChIInChI=1S/C18H28N2O4/c1-2-3-4-7-12-19-18(22)16-13-15(24-20-16)9-6-5-8-14-10-11-17(21)23-14/h13-14H,2-12H2,1H3,(H,19,22)
InChIKeyGWFWOUPZBIYALN-UHFFFAOYSA-N
XLogP3.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide (CID 44580445) is N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide is CCCCCCNC(=O)c1cc(CCCCC2CCC(=O)O2)on1.
What is the InChIKey of N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GWFWOUPZBIYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-2-3-4-7-12-19-18(22)16-13-15(24-20-16)9-6-5-8-14-10-11-17(21)23-14/h13-14H,2-12H2,1H3,(H,19,22).
What are the key properties of N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide?
N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44580445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).