2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one

C12H15NO3 — CID 117315639

IUPAC2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(CCCO)cc1
InChIInChI=1S/C12H15NO3/c14-8-1-2-10-3-5-11(6-4-10)13-12(15)7-9-16-13/h3-6,14H,1-2,7-9H2
InChIKeyAUXOCRLIHVQVOB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one

2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117315639) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117315639
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(CCCO)cc1
InChIInChI=1S/C12H15NO3/c14-8-1-2-10-3-5-11(6-4-10)13-12(15)7-9-16-13/h3-6,14H,1-2,7-9H2
InChIKeyAUXOCRLIHVQVOB-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
CID 117297320
2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one
CID 117342188
2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one
CID 117340817
2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117314462
2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117311947
2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one
CID 117405204
2-[2-(2-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one
CID 117295623
4-[4-(3-hydroxypropyl)phenyl]piperazine-2,6-dione
CID 117373491
ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate
CID 117411933
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one
CID 143721519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one (CID 117315639) is 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one is O=C1CCON1c1ccc(CCCO)cc1.
What is the InChIKey of 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is AUXOCRLIHVQVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-1-2-10-3-5-11(6-4-10)13-12(15)7-9-16-13/h3-6,14H,1-2,7-9H2.
What are the key properties of 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 221.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117315639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).