N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C15H21F3N2O3 — CID 122153301

IUPACN-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CC(NC(=O)c2ncoc2C(F)(F)F)C1(CC)CC
InChIInChI=1S/C15H21F3N2O3/c1-4-14(5-2)9(7-10(14)22-6-3)20-13(21)11-12(15(16,17)18)23-8-19-11/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyCLGQFEGPWPCJSA-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.41
Rot. Bonds6

About N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 122153301) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID122153301
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CC(NC(=O)c2ncoc2C(F)(F)F)C1(CC)CC
InChIInChI=1S/C15H21F3N2O3/c1-4-14(5-2)9(7-10(14)22-6-3)20-13(21)11-12(15(16,17)18)23-8-19-11/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyCLGQFEGPWPCJSA-UHFFFAOYSA-N
XLogP3.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 122153301) is N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CCOC1CC(NC(=O)c2ncoc2C(F)(F)F)C1(CC)CC.
What is the InChIKey of N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CLGQFEGPWPCJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-4-14(5-2)9(7-10(14)22-6-3)20-13(21)11-12(15(16,17)18)23-8-19-11/h8-10H,4-7H2,1-3H3,(H,20,21).
What are the key properties of N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122153301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).