5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one

C14H18ClNO4 — CID 22360064

IUPAC5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one
SMILESCCCC(O)N1CC(COc2cccc(Cl)c2)OC1=O
InChIInChI=1S/C14H18ClNO4/c1-2-4-13(17)16-8-12(20-14(16)18)9-19-11-6-3-5-10(15)7-11/h3,5-7,12-13,17H,2,4,8-9H2,1H3
InChIKeyCGHANQCAVWLPHU-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.66
Rot. Bonds6

About 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one

5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one (PubChem CID 22360064) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one
PubChem CID22360064
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one
SMILESCCCC(O)N1CC(COc2cccc(Cl)c2)OC1=O
InChIInChI=1S/C14H18ClNO4/c1-2-4-13(17)16-8-12(20-14(16)18)9-19-11-6-3-5-10(15)7-11/h3,5-7,12-13,17H,2,4,8-9H2,1H3
InChIKeyCGHANQCAVWLPHU-UHFFFAOYSA-N
XLogP2.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one
CID 67710202
5-[[4-[2-[5-[(3-chlorophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]butoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 21474698
(5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 6922847
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
CID 123453200
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
(3-chlorophenyl) 2-methylpentanoate
CID 78777176
2-(3-methylphenoxy)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110726002
2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
CID 18176771
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one (CID 22360064) is 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one is CCCC(O)N1CC(COc2cccc(Cl)c2)OC1=O.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one?
The InChIKey is CGHANQCAVWLPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-2-4-13(17)16-8-12(20-14(16)18)9-19-11-6-3-5-10(15)7-11/h3,5-7,12-13,17H,2,4,8-9H2,1H3.
What are the key properties of 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one?
5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one has a molecular weight of 299.75 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22360064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).