N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide

C14H22N2O4 — CID 119034483

IUPACN-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCOC1CC(CO)(NC(=O)c2cc(C)no2)C1(C)C
InChIInChI=1S/C14H22N2O4/c1-5-19-11-7-14(8-17,13(11,3)4)15-12(18)10-6-9(2)16-20-10/h6,11,17H,5,7-8H2,1-4H3,(H,15,18)
InChIKeyPKKZOGBFSSHOQC-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.28
Rot. Bonds5

About N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 119034483) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID119034483
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCOC1CC(CO)(NC(=O)c2cc(C)no2)C1(C)C
InChIInChI=1S/C14H22N2O4/c1-5-19-11-7-14(8-17,13(11,3)4)15-12(18)10-6-9(2)16-20-10/h6,11,17H,5,7-8H2,1-4H3,(H,15,18)
InChIKeyPKKZOGBFSSHOQC-UHFFFAOYSA-N
XLogP1.28
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 119034483) is N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide is CCOC1CC(CO)(NC(=O)c2cc(C)no2)C1(C)C.
What is the InChIKey of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is PKKZOGBFSSHOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-19-11-7-14(8-17,13(11,3)4)15-12(18)10-6-9(2)16-20-10/h6,11,17H,5,7-8H2,1-4H3,(H,15,18).
What are the key properties of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119034483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).