[(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol

C13H23N3O3 — CID 99829675

IUPAC[(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol
SMILESCCO[C@H]1C[C@@](CO)(NCc2noc(C)n2)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-5-18-10-6-13(8-17,12(10,3)4)14-7-11-15-9(2)19-16-11/h10,14,17H,5-8H2,1-4H3/t10-,13-/m0/s1
InChIKeyTVIOOJCNADAHNS-GWCFXTLKSA-N
MW269.34 g/mol
LogP1.03
Rot. Bonds6

About [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol

[(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol (PubChem CID 99829675) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol
PubChem CID99829675
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name[(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol
SMILESCCO[C@H]1C[C@@](CO)(NCc2noc(C)n2)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-5-18-10-6-13(8-17,12(10,3)4)14-7-11-15-9(2)19-16-11/h10,14,17H,5-8H2,1-4H3/t10-,13-/m0/s1
InChIKeyTVIOOJCNADAHNS-GWCFXTLKSA-N
XLogP1.03
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol with MolForge

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Related Compounds

N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119034483
[(1S,3S)-3-ethoxy-1-[(5-methoxy-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutyl]methanol
CID 99788581
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
CID 107911470
1-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 98562532
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 84589960
2-(dimethylamino)-N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]acetamide
CID 99826697
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]cyclopropanecarboxamide
CID 99826650
1-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 75512874
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 107911734
[(1R,3R)-3-ethoxy-1-[[(1S,2R,3R)-3-ethoxy-2-methylsulfanylcyclobutyl]amino]-2,2-dimethylcyclobutyl]methanol
CID 124739843
N-[(1S,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]but-2-ynamide
CID 166430899
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
CID 99826458

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol?
The IUPAC name of [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol (CID 99829675) is [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol is CCO[C@H]1C[C@@](CO)(NCc2noc(C)n2)C1(C)C.
What is the InChIKey of [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol?
The InChIKey is TVIOOJCNADAHNS-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-18-10-6-13(8-17,12(10,3)4)14-7-11-15-9(2)19-16-11/h10,14,17H,5-8H2,1-4H3/t10-,13-/m0/s1.
What are the key properties of [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol?
[(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol has a molecular weight of 269.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-ethoxy-2,2-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 99829675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).