N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide

C13H20N2O4 — CID 129401810

IUPACN-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCO[C@H]1C[C@@](O)(CNC(=O)c2ccon2)C1(C)C
InChIInChI=1S/C13H20N2O4/c1-4-18-10-7-13(17,12(10,2)3)8-14-11(16)9-5-6-19-15-9/h5-6,10,17H,4,7-8H2,1-3H3,(H,14,16)/t10-,13+/m0/s1
InChIKeyMHCHAIQCQHSLTR-GXFFZTMASA-N
MW268.31 g/mol
LogP0.97
Rot. Bonds5

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

N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 129401810) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID129401810
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCO[C@H]1C[C@@](O)(CNC(=O)c2ccon2)C1(C)C
InChIInChI=1S/C13H20N2O4/c1-4-18-10-7-13(17,12(10,2)3)8-14-11(16)9-5-6-19-15-9/h5-6,10,17H,4,7-8H2,1-3H3,(H,14,16)/t10-,13+/m0/s1
InChIKeyMHCHAIQCQHSLTR-GXFFZTMASA-N
XLogP0.97
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide (CID 129401810) is N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide is CCO[C@H]1C[C@@](O)(CNC(=O)c2ccon2)C1(C)C.
What is the InChIKey of N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MHCHAIQCQHSLTR-GXFFZTMASA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-18-10-7-13(17,12(10,2)3)8-14-11(16)9-5-6-19-15-9/h5-6,10,17H,4,7-8H2,1-3H3,(H,14,16)/t10-,13+/m0/s1.
What are the key properties of N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide?
N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129401810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).