trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine

C23H33N3O — CID 56774137

IUPACtrans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine
SMILESCN(Cc1ccccc1)Cc1cc(C[C@@H]2C[C@H](NC3CCC3)C2(C)C)no1
InChIInChI=1S/C23H33N3O/c1-23(2)18(13-22(23)24-19-10-7-11-19)12-20-14-21(27-25-20)16-26(3)15-17-8-5-4-6-9-17/h4-6,8-9,14,18-19,22,24H,7,10-13,15-16H2,1-3H3/t18-,22+/m1/s1
InChIKeyLIQRZSQRQFAQQY-GCJKJVERSA-N
MW367.54 g/mol
LogP4.41
Rot. Bonds8

About trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine

trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 56774137) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine
PubChem CID56774137
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Nametrans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine
SMILESCN(Cc1ccccc1)Cc1cc(C[C@@H]2C[C@H](NC3CCC3)C2(C)C)no1
InChIInChI=1S/C23H33N3O/c1-23(2)18(13-22(23)24-19-10-7-11-19)12-20-14-21(27-25-20)16-26(3)15-17-8-5-4-6-9-17/h4-6,8-9,14,18-19,22,24H,7,10-13,15-16H2,1-3H3/t18-,22+/m1/s1
InChIKeyLIQRZSQRQFAQQY-GCJKJVERSA-N
XLogP4.41
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774136
N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine
CID 56774162
3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine
CID 56775620
6-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-[(dimethylamino)methyl]oxan-3-ol
CID 163048202
N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline
CID 56774259
3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 77059031
N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162978112
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 42122193
[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol
CID 56774301
N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-4-fluorobenzenesulfonamide
CID 56774295
methyl 2-[[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]amino]-2-oxoacetate
CID 56774343

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine (CID 56774137) is trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine is CN(Cc1ccccc1)Cc1cc(C[C@@H]2C[C@H](NC3CCC3)C2(C)C)no1.
What is the InChIKey of trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is LIQRZSQRQFAQQY-GCJKJVERSA-N. The full InChI is InChI=1S/C23H33N3O/c1-23(2)18(13-22(23)24-19-10-7-11-19)12-20-14-21(27-25-20)16-26(3)15-17-8-5-4-6-9-17/h4-6,8-9,14,18-19,22,24H,7,10-13,15-16H2,1-3H3/t18-,22+/m1/s1.
What are the key properties of trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine?
trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 367.54 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 56774137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).