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

C15H24N2O4 — CID 56775524

IUPAC2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(CC2(NC3CCOCC3)COC2)no1
InChIInChI=1S/C15H24N2O4/c1-14(2,18)13-7-12(17-21-13)8-15(9-20-10-15)16-11-3-5-19-6-4-11/h7,11,16,18H,3-6,8-10H2,1-2H3
InChIKeyLDEWJMDEUNQSTH-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.98
Rot. Bonds5

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

2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (PubChem CID 56775524) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
PubChem CID56775524
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(CC2(NC3CCOCC3)COC2)no1
InChIInChI=1S/C15H24N2O4/c1-14(2,18)13-7-12(17-21-13)8-15(9-20-10-15)16-11-3-5-19-6-4-11/h7,11,16,18H,3-6,8-10H2,1-2H3
InChIKeyLDEWJMDEUNQSTH-UHFFFAOYSA-N
XLogP0.98
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (CID 56775524) is 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is CC(C)(O)c1cc(CC2(NC3CCOCC3)COC2)no1.
What is the InChIKey of 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The InChIKey is LDEWJMDEUNQSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2,18)13-7-12(17-21-13)8-15(9-20-10-15)16-11-3-5-19-6-4-11/h7,11,16,18H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol has a molecular weight of 296.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 56775524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).