trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine

C15H26N2O2 — CID 56774093

IUPACtrans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCN[C@H]1C[C@@H](Cc2cc(COC)on2)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-5-6-16-14-8-11(15(14,2)3)7-12-9-13(10-18-4)19-17-12/h9,11,14,16H,5-8,10H2,1-4H3/t11-,14+/m1/s1
InChIKeyHUBFSBPCIRXXFZ-RISCZKNCSA-N
MW266.38 g/mol
LogP2.78
Rot. Bonds7

About trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine

trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 56774093) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID56774093
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametrans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCN[C@H]1C[C@@H](Cc2cc(COC)on2)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-5-6-16-14-8-11(15(14,2)3)7-12-9-13(10-18-4)19-17-12/h9,11,14,16H,5-8,10H2,1-4H3/t11-,14+/m1/s1
InChIKeyHUBFSBPCIRXXFZ-RISCZKNCSA-N
XLogP2.78
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 56774093) is trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCN[C@H]1C[C@@H](Cc2cc(COC)on2)C1(C)C.
What is the InChIKey of trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is HUBFSBPCIRXXFZ-RISCZKNCSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-6-16-14-8-11(15(14,2)3)7-12-9-13(10-18-4)19-17-12/h9,11,14,16H,5-8,10H2,1-4H3/t11-,14+/m1/s1.
What are the key properties of trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine?
trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.78, 7 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-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 56774093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).