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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Related Compounds

(5R)-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 94919826
(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 97000604
trimethyl-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 73349592
5-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254988
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 157467427
5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 154193468
5-(2-methoxyethyl)-1,3-oxazolidin-2-one
CID 117158748
(5S)-5-amino-1,3-oxazolidin-2-one
CID 141300678
2-[ethyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]acetic acid
CID 61011469
molecular hydrogen;N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]propane-1-sulfonamide
CID 159817339
potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate
CID 158990418
(2R)-2-hydroxy-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 130643410

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).