N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline

C18H25N3O — CID 56774259

IUPACN-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline
SMILESCN(Cc1cc(C[C@@H]2C[C@H](N)C2(C)C)no1)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-18(2)13(10-17(18)19)9-14-11-16(22-20-14)12-21(3)15-7-5-4-6-8-15/h4-8,11,13,17H,9-10,12,19H2,1-3H3/t13-,17+/m1/s1
InChIKeyXABJKAFDVJDYTJ-DYVFJYSZSA-N
MW299.42 g/mol
LogP3.23
Rot. Bonds5

About N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline

N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline (PubChem CID 56774259) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline
PubChem CID56774259
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline
SMILESCN(Cc1cc(C[C@@H]2C[C@H](N)C2(C)C)no1)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-18(2)13(10-17(18)19)9-14-11-16(22-20-14)12-21(3)15-7-5-4-6-8-15/h4-8,11,13,17H,9-10,12,19H2,1-3H3/t13-,17+/m1/s1
InChIKeyXABJKAFDVJDYTJ-DYVFJYSZSA-N
XLogP3.23
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline?
The IUPAC name of N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline (CID 56774259) is N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline is CN(Cc1cc(C[C@@H]2C[C@H](N)C2(C)C)no1)c1ccccc1.
What is the InChIKey of N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline?
The InChIKey is XABJKAFDVJDYTJ-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H25N3O/c1-18(2)13(10-17(18)19)9-14-11-16(22-20-14)12-21(3)15-7-5-4-6-8-15/h4-8,11,13,17H,9-10,12,19H2,1-3H3/t13-,17+/m1/s1.
What are the key properties of N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline?
N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline has a molecular weight of 299.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline is sourced from PubChem (CID 56774259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).