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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Related Compounds

3-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
CID 69043566
1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 115433705
1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 115446001
1-[(3-hydroxyoxolan-3-yl)methyl]imidazolidin-2-one
CID 106103053
1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione
CID 81130834
2-[(4-hydroxyoxan-4-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104550608
1-[(4-hydroxyoxan-4-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 113269057
3-[[8-hydroxy-1-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one
CID 66551091
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]morpholine-4-carboxamide
CID 110872095
1-[(4-hydroxyoxan-4-yl)methyl]-4-methylpiperidine-2,6-dione
CID 81131359
3-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 141105157
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234

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).