N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine

C14H23N3O2 — CID 56775433

IUPACN-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCN(C)Cc1cc(CC2(NC3CCC3)COC2)no1
InChIInChI=1S/C14H23N3O2/c1-17(2)8-13-6-12(16-19-13)7-14(9-18-10-14)15-11-4-3-5-11/h6,11,15H,3-5,7-10H2,1-2H3
InChIKeyVAZRNEXQGMMWLC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.19
Rot. Bonds6

About N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine

N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775433) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775433
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCN(C)Cc1cc(CC2(NC3CCC3)COC2)no1
InChIInChI=1S/C14H23N3O2/c1-17(2)8-13-6-12(16-19-13)7-14(9-18-10-14)15-11-4-3-5-11/h6,11,15H,3-5,7-10H2,1-2H3
InChIKeyVAZRNEXQGMMWLC-UHFFFAOYSA-N
XLogP1.19
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775433) is N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine is CN(C)Cc1cc(CC2(NC3CCC3)COC2)no1.
What is the InChIKey of N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is VAZRNEXQGMMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(2)8-13-6-12(16-19-13)7-14(9-18-10-14)15-11-4-3-5-11/h6,11,15H,3-5,7-10H2,1-2H3.
What are the key properties of N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 265.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).