N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide

C20H23ClN2O6 — CID 69175831

IUPACN-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)cc1OC[C@H](O)CN1C[C@@H](Oc2ccc(Cl)cc2)CO1
InChIInChI=1S/C20H23ClN2O6/c1-13(24)22-19-7-4-15(25)8-20(19)27-11-16(26)9-23-10-18(12-28-23)29-17-5-2-14(21)3-6-17/h2-8,16,18,25-26H,9-12H2,1H3,(H,22,24)/t16-,18-/m1/s1
InChIKeyPMFAKGPPVSZHOY-SJLPKXTDSA-N
MW422.87 g/mol
LogP2.44
Rot. Bonds8

About N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide

N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide (PubChem CID 69175831) has the molecular formula C20H23ClN2O6 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
PubChem CID69175831
Molecular FormulaC20H23ClN2O6
Molecular Weight422.87 g/mol
Exact Mass422.12
IUPAC NameN-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)cc1OC[C@H](O)CN1C[C@@H](Oc2ccc(Cl)cc2)CO1
InChIInChI=1S/C20H23ClN2O6/c1-13(24)22-19-7-4-15(25)8-20(19)27-11-16(26)9-23-10-18(12-28-23)29-17-5-2-14(21)3-6-17/h2-8,16,18,25-26H,9-12H2,1H3,(H,22,24)/t16-,18-/m1/s1
InChIKeyPMFAKGPPVSZHOY-SJLPKXTDSA-N
XLogP2.44
TPSA100.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2S)-3-[(4S)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 25125590
N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid
CID 25125591
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
N-[2-[(2R)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 25116462
N-[2-[(2S)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 10460507
methyl (2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 86759800
(3S)-2-chloro-5-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]pyrrolidin-3-ol
CID 173145410
N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]cyclobutanecarboxamide
CID 10226384
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 139966276
(2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 86759799
N-[2-[3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-hydroxypropoxy]phenyl]acetamide;hydrochloride
CID 174457672

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide (CID 69175831) is N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(O)cc1OC[C@H](O)CN1C[C@@H](Oc2ccc(Cl)cc2)CO1.
What is the InChIKey of N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
The InChIKey is PMFAKGPPVSZHOY-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H23ClN2O6/c1-13(24)22-19-7-4-15(25)8-20(19)27-11-16(26)9-23-10-18(12-28-23)29-17-5-2-14(21)3-6-17/h2-8,16,18,25-26H,9-12H2,1H3,(H,22,24)/t16-,18-/m1/s1.
What are the key properties of N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide has a molecular weight of 422.87 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 69175831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).