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

C13H16ClNO4 — CID 67710202

IUPAC(5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one
SMILESCCC(O)N1C[C@@H](COc2cccc(Cl)c2)OC1=O
InChIInChI=1S/C13H16ClNO4/c1-2-12(16)15-7-11(19-13(15)17)8-18-10-5-3-4-9(14)6-10/h3-6,11-12,16H,2,7-8H2,1H3/t11-,12?/m0/s1
InChIKeyCNMQMRSYXJFCHF-PXYINDEMSA-N
MW285.73 g/mol
LogP2.27
Rot. Bonds5

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

(5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one (PubChem CID 67710202) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one
PubChem CID67710202
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name(5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one
SMILESCCC(O)N1C[C@@H](COc2cccc(Cl)c2)OC1=O
InChIInChI=1S/C13H16ClNO4/c1-2-12(16)15-7-11(19-13(15)17)8-18-10-5-3-4-9(14)6-10/h3-6,11-12,16H,2,7-8H2,1H3/t11-,12?/m0/s1
InChIKeyCNMQMRSYXJFCHF-PXYINDEMSA-N
XLogP2.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one
CID 22360064
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
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
CID 123453200
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
2-(3-methylphenoxy)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110726002
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
1-chloro-3-(2-phenylbutoxy)benzene
CID 70672799

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one (CID 67710202) is (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one is CCC(O)N1C[C@@H](COc2cccc(Cl)c2)OC1=O.
What is the InChIKey of (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one?
The InChIKey is CNMQMRSYXJFCHF-PXYINDEMSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-2-12(16)15-7-11(19-13(15)17)8-18-10-5-3-4-9(14)6-10/h3-6,11-12,16H,2,7-8H2,1H3/t11-,12?/m0/s1.
What are the key properties of (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one?
(5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one has a molecular weight of 285.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67710202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).