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

C14H19NO4 — CID 95561590

IUPAC(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCCCCOc1ccccc1OC[C@@H]1CNC(=O)O1
InChIInChI=1S/C14H19NO4/c1-2-3-8-17-12-6-4-5-7-13(12)18-10-11-9-15-14(16)19-11/h4-7,11H,2-3,8-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyPXJJSSFKAODQLQ-NSHDSACASA-N
MW265.31 g/mol
LogP2.35
Rot. Bonds7

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

(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 95561590) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID95561590
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCCCCOc1ccccc1OC[C@@H]1CNC(=O)O1
InChIInChI=1S/C14H19NO4/c1-2-3-8-17-12-6-4-5-7-13(12)18-10-11-9-15-14(16)19-11/h4-7,11H,2-3,8-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyPXJJSSFKAODQLQ-NSHDSACASA-N
XLogP2.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 66849130
CID 66849130
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 87722700
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
CID 66663546
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
CID 43472370
5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889962
5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496496
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754
(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
CID 86330978
5-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 63091025

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one (CID 95561590) is (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one is CCCCOc1ccccc1OC[C@@H]1CNC(=O)O1.
What is the InChIKey of (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is PXJJSSFKAODQLQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-3-8-17-12-6-4-5-7-13(12)18-10-11-9-15-14(16)19-11/h4-7,11H,2-3,8-10H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95561590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).