trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine

C15H27N3O — CID 75536185

IUPACtrans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](N(C)C)C2(C)C)no1
InChIInChI=1S/C15H27N3O/c1-15(2)11(8-14(15)18(5)6)7-12-9-13(19-16-12)10-17(3)4/h9,11,14H,7-8,10H2,1-6H3/t11-,14+/m1/s1
InChIKeyMTPRQTRRNDYNNH-RISCZKNCSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds5

About trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine

trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine (PubChem CID 75536185) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine
PubChem CID75536185
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Nametrans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](N(C)C)C2(C)C)no1
InChIInChI=1S/C15H27N3O/c1-15(2)11(8-14(15)18(5)6)7-12-9-13(19-16-12)10-17(3)4/h9,11,14H,7-8,10H2,1-6H3/t11-,14+/m1/s1
InChIKeyMTPRQTRRNDYNNH-RISCZKNCSA-N
XLogP2.26
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine (CID 75536185) is trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine is CN(C)Cc1cc(C[C@@H]2C[C@H](N(C)C)C2(C)C)no1.
What is the InChIKey of trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine?
The InChIKey is MTPRQTRRNDYNNH-RISCZKNCSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2)11(8-14(15)18(5)6)7-12-9-13(19-16-12)10-17(3)4/h9,11,14H,7-8,10H2,1-6H3/t11-,14+/m1/s1.
What are the key properties of trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine?
trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine is sourced from PubChem (CID 75536185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).