N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

C19H26N2O3 — CID 56775662

IUPACN-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCC(C)(C)CNC1(Cc2cc(COc3ccccc3)on2)COC1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)12-20-19(13-22-14-19)10-15-9-17(24-21-15)11-23-16-7-5-4-6-8-16/h4-9,20H,10-14H2,1-3H3
InChIKeyVJOZNSSIIVDWIB-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.20
Rot. Bonds7

About N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775662) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775662
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCC(C)(C)CNC1(Cc2cc(COc3ccccc3)on2)COC1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)12-20-19(13-22-14-19)10-15-9-17(24-21-15)11-23-16-7-5-4-6-8-16/h4-9,20H,10-14H2,1-3H3
InChIKeyVJOZNSSIIVDWIB-UHFFFAOYSA-N
XLogP3.20
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine with MolForge

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Related Compounds

3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775664
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
CID 56775535
N-[(2-chlorophenyl)methyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 56775674
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459576
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392
N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine
CID 56774162
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775709
3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine
CID 56775620
[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
CID 56775585
methyl 2-[[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]amino]-2-oxoacetate
CID 56774343
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775662) is N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is CC(C)(C)CNC1(Cc2cc(COc3ccccc3)on2)COC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is VJOZNSSIIVDWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)12-20-19(13-22-14-19)10-15-9-17(24-21-15)11-23-16-7-5-4-6-8-16/h4-9,20H,10-14H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 330.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).