[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol

C13H20N2O4 — CID 75367137

IUPAC[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(CC2(NC3CCOCC3)COC2)no1
InChIInChI=1S/C13H20N2O4/c16-7-12-5-11(15-19-12)6-13(8-18-9-13)14-10-1-3-17-4-2-10/h5,10,14,16H,1-4,6-9H2
InChIKeyMEZQJSGVEPWPOJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.25
Rot. Bonds5

About [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol

[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol (PubChem CID 75367137) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
PubChem CID75367137
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(CC2(NC3CCOCC3)COC2)no1
InChIInChI=1S/C13H20N2O4/c16-7-12-5-11(15-19-12)6-13(8-18-9-13)14-10-1-3-17-4-2-10/h5,10,14,16H,1-4,6-9H2
InChIKeyMEZQJSGVEPWPOJ-UHFFFAOYSA-N
XLogP0.25
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol (CID 75367137) is [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol is OCc1cc(CC2(NC3CCOCC3)COC2)no1.
What is the InChIKey of [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is MEZQJSGVEPWPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-7-12-5-11(15-19-12)6-13(8-18-9-13)14-10-1-3-17-4-2-10/h5,10,14,16H,1-4,6-9H2.
What are the key properties of [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 268.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 75367137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).