3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one

C9H15NO4 — CID 104550613

IUPAC3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1(O)CCOCC1
InChIInChI=1S/C9H15NO4/c11-8-10(3-6-14-8)7-9(12)1-4-13-5-2-9/h12H,1-7H2
InChIKeyBFBWPTOFHSTTHE-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.02
Rot. Bonds2

About 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one

3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 104550613) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID104550613
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1(O)CCOCC1
InChIInChI=1S/C9H15NO4/c11-8-10(3-6-14-8)7-9(12)1-4-13-5-2-9/h12H,1-7H2
InChIKeyBFBWPTOFHSTTHE-UHFFFAOYSA-N
XLogP-0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one (CID 104550613) is 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one is O=C1OCCN1CC1(O)CCOCC1.
What is the InChIKey of 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BFBWPTOFHSTTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-8-10(3-6-14-8)7-9(12)1-4-13-5-2-9/h12H,1-7H2.
What are the key properties of 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one?
3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 201.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 104550613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).