N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine

C16H26N2O3 — CID 56775688

IUPACN-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine
SMILESCC(C)Cc1cc(CC2(NC3CCOCC3)COC2)no1
InChIInChI=1S/C16H26N2O3/c1-12(2)7-15-8-14(18-21-15)9-16(10-20-11-16)17-13-3-5-19-6-4-13/h8,12-13,17H,3-7,9-11H2,1-2H3
InChIKeyLFEKIOXWLSVZAU-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.95
Rot. Bonds6

About N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine

N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine (PubChem CID 56775688) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine
PubChem CID56775688
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine
SMILESCC(C)Cc1cc(CC2(NC3CCOCC3)COC2)no1
InChIInChI=1S/C16H26N2O3/c1-12(2)7-15-8-14(18-21-15)9-16(10-20-11-16)17-13-3-5-19-6-4-13/h8,12-13,17H,3-7,9-11H2,1-2H3
InChIKeyLFEKIOXWLSVZAU-UHFFFAOYSA-N
XLogP1.95
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine?
The IUPAC name of N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine (CID 56775688) is N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine.
What is the SMILES notation for N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine?
The canonical SMILES for N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine is CC(C)Cc1cc(CC2(NC3CCOCC3)COC2)no1.
What is the InChIKey of N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine?
The InChIKey is LFEKIOXWLSVZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)7-15-8-14(18-21-15)9-16(10-20-11-16)17-13-3-5-19-6-4-13/h8,12-13,17H,3-7,9-11H2,1-2H3.
What are the key properties of N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine?
N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine has a molecular weight of 294.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]oxan-4-amine is sourced from PubChem (CID 56775688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).