2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol

C15H26N2O3 — CID 56775520

IUPAC2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(C)CNC1(Cc2cc(C(C)(C)O)on2)COC1
InChIInChI=1S/C15H26N2O3/c1-13(2,3)8-16-15(9-19-10-15)7-11-6-12(20-17-11)14(4,5)18/h6,16,18H,7-10H2,1-5H3
InChIKeyJFMXHXHGJNSYRZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.85
Rot. Bonds5

About 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol

2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (PubChem CID 56775520) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
PubChem CID56775520
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(C)CNC1(Cc2cc(C(C)(C)O)on2)COC1
InChIInChI=1S/C15H26N2O3/c1-13(2,3)8-16-15(9-19-10-15)7-11-6-12(20-17-11)14(4,5)18/h6,16,18H,7-10H2,1-5H3
InChIKeyJFMXHXHGJNSYRZ-UHFFFAOYSA-N
XLogP1.85
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (CID 56775520) is 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is CC(C)(C)CNC1(Cc2cc(C(C)(C)O)on2)COC1.
What is the InChIKey of 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The InChIKey is JFMXHXHGJNSYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(2,3)8-16-15(9-19-10-15)7-11-6-12(20-17-11)14(4,5)18/h6,16,18H,7-10H2,1-5H3.
What are the key properties of 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(2,2-dimethylpropylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 56775520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).