butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one

C8H17NO3 — CID 143016675

IUPACbutane;5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCCC.O=C1NCC(CO)O1
InChIInChI=1S/C4H7NO3.C4H10/c6-2-3-1-5-4(7)8-3;1-3-4-2/h3,6H,1-2H2,(H,5,7);3-4H2,1-2H3
InChIKeyRFAZGVYRXWAEBZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.89
Rot. Bonds2

About butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one

butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 143016675) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namebutane;5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID143016675
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namebutane;5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCCC.O=C1NCC(CO)O1
InChIInChI=1S/C4H7NO3.C4H10/c6-2-3-1-5-4(7)8-3;1-3-4-2/h3,6H,1-2H2,(H,5,7);3-4H2,1-2H3
InChIKeyRFAZGVYRXWAEBZ-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 143016675) is butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one is CCCC.O=C1NCC(CO)O1.
What is the InChIKey of butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is RFAZGVYRXWAEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.C4H10/c6-2-3-1-5-4(7)8-3;1-3-4-2/h3,6H,1-2H2,(H,5,7);3-4H2,1-2H3.
What are the key properties of butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one?
butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143016675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).