N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide

C17H28N2O2S — CID 42789396

IUPACN-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
SMILESCCCCCCCCN(Cc1nccs1)C(=O)C1CCCO1
InChIInChI=1S/C17H28N2O2S/c1-2-3-4-5-6-7-11-19(14-16-18-10-13-22-16)17(20)15-9-8-12-21-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyILOUJNMBIAZACS-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.01
Rot. Bonds10

About N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide

N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide (PubChem CID 42789396) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
PubChem CID42789396
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide
SMILESCCCCCCCCN(Cc1nccs1)C(=O)C1CCCO1
InChIInChI=1S/C17H28N2O2S/c1-2-3-4-5-6-7-11-19(14-16-18-10-13-22-16)17(20)15-9-8-12-21-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyILOUJNMBIAZACS-UHFFFAOYSA-N
XLogP4.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide (CID 42789396) is N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide is CCCCCCCCN(Cc1nccs1)C(=O)C1CCCO1.
What is the InChIKey of N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
The InChIKey is ILOUJNMBIAZACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-2-3-4-5-6-7-11-19(14-16-18-10-13-22-16)17(20)15-9-8-12-21-15/h10,13,15H,2-9,11-12,14H2,1H3.
What are the key properties of N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide?
N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide has a molecular weight of 324.49 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-(1,3-thiazol-2-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 42789396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).