1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

C12H27N3O3 — CID 166667220

IUPAC1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
SMILESCC(O)CN.CC1CN(CN2COC(C)C2)CO1
InChIInChI=1S/C9H18N2O2.C3H9NO/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11;1-3(5)2-4/h8-9H,3-7H2,1-2H3;3,5H,2,4H2,1H3
InChIKeyPFBFXATWKPDWAA-UHFFFAOYSA-N
MW261.37 g/mol
LogP-0.37
Rot. Bonds3

About 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine (PubChem CID 166667220) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
PubChem CID166667220
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC Name1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
SMILESCC(O)CN.CC1CN(CN2COC(C)C2)CO1
InChIInChI=1S/C9H18N2O2.C3H9NO/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11;1-3(5)2-4/h8-9H,3-7H2,1-2H3;3,5H,2,4H2,1H3
InChIKeyPFBFXATWKPDWAA-UHFFFAOYSA-N
XLogP-0.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine (CID 166667220) is 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine is CC(O)CN.CC1CN(CN2COC(C)C2)CO1.
What is the InChIKey of 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
The InChIKey is PFBFXATWKPDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C3H9NO/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11;1-3(5)2-4/h8-9H,3-7H2,1-2H3;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine has a molecular weight of 261.37 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 166667220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).