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

C17H22N2O2 — CID 56775572

IUPACN-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESCC(C)CNC1(Cc2cc(-c3ccccc3)on2)COC1
InChIInChI=1S/C17H22N2O2/c1-13(2)10-18-17(11-20-12-17)9-15-8-16(21-19-15)14-6-4-3-5-7-14/h3-8,13,18H,9-12H2,1-2H3
InChIKeyQIXQCYQBFXCXMF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.90
Rot. Bonds6

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

N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (PubChem CID 56775572) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
PubChem CID56775572
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESCC(C)CNC1(Cc2cc(-c3ccccc3)on2)COC1
InChIInChI=1S/C17H22N2O2/c1-13(2)10-18-17(11-20-12-17)9-15-8-16(21-19-15)14-6-4-3-5-7-14/h3-8,13,18H,9-12H2,1-2H3
InChIKeyQIXQCYQBFXCXMF-UHFFFAOYSA-N
XLogP2.90
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (CID 56775572) is N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is CC(C)CNC1(Cc2cc(-c3ccccc3)on2)COC1.
What is the InChIKey of N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is QIXQCYQBFXCXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)10-18-17(11-20-12-17)9-15-8-16(21-19-15)14-6-4-3-5-7-14/h3-8,13,18H,9-12H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 56775572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).