ethane;2-methoxypropane;1,3-oxazolidin-2-one

C9H21NO3 — CID 177227287

IUPACethane;2-methoxypropane;1,3-oxazolidin-2-one
SMILESCC.COC(C)C.O=C1NCCO1
InChIInChI=1S/C4H10O.C3H5NO2.C2H6/c1-4(2)5-3;5-3-4-1-2-6-3;1-2/h4H,1-3H3;1-2H2,(H,4,5);1-2H3
InChIKeyKRFFUPMVXOPLBX-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.79
Rot. Bonds1

About ethane;2-methoxypropane;1,3-oxazolidin-2-one

ethane;2-methoxypropane;1,3-oxazolidin-2-one (PubChem CID 177227287) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;2-methoxypropane;1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;2-methoxypropane;1,3-oxazolidin-2-one
PubChem CID177227287
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Nameethane;2-methoxypropane;1,3-oxazolidin-2-one
SMILESCC.COC(C)C.O=C1NCCO1
InChIInChI=1S/C4H10O.C3H5NO2.C2H6/c1-4(2)5-3;5-3-4-1-2-6-3;1-2/h4H,1-3H3;1-2H2,(H,4,5);1-2H3
InChIKeyKRFFUPMVXOPLBX-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxypropane;1,3-oxazolidin-2-one
CID 177227650
2-methylpropane;1,3-oxazolidin-2-one
CID 143049841
1,3-oxazolidin-2-one;hydrate
CID 141149411
1,3-oxazolidin-2-one;stannane
CID 173239925
bis(1,3-oxazolidin-2-one);piperazine
CID 66663438
acetyl chloride;1,3-oxazolidin-2-one
CID 22468284
1,3-oxazolidin-2-one;propan-1-ol
CID 144673356
3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one
CID 23176876
2-nitro-1H-imidazole;1,3-oxazolidin-2-one
CID 172854121
(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one
CID 69357157
2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine
CID 90272502
5,5-dimethyl-1,3-oxazepan-2-one;ethane
CID 143321843

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxypropane;1,3-oxazolidin-2-one?
The IUPAC name of ethane;2-methoxypropane;1,3-oxazolidin-2-one (CID 177227287) is ethane;2-methoxypropane;1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;2-methoxypropane;1,3-oxazolidin-2-one?
The canonical SMILES for ethane;2-methoxypropane;1,3-oxazolidin-2-one is CC.COC(C)C.O=C1NCCO1.
What is the InChIKey of ethane;2-methoxypropane;1,3-oxazolidin-2-one?
The InChIKey is KRFFUPMVXOPLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H5NO2.C2H6/c1-4(2)5-3;5-3-4-1-2-6-3;1-2/h4H,1-3H3;1-2H2,(H,4,5);1-2H3.
What are the key properties of ethane;2-methoxypropane;1,3-oxazolidin-2-one?
ethane;2-methoxypropane;1,3-oxazolidin-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxypropane;1,3-oxazolidin-2-one is sourced from PubChem (CID 177227287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).