[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate

C29H29ClN2O5 — CID 24946198

IUPAC[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC[C@@H]1OC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H29ClN2O5/c30-21-11-15-24(16-12-21)36-25-17-13-23(14-18-25)32-27(20-7-3-1-4-8-20)26(37-29(32)34)19-35-28(33)31-22-9-5-2-6-10-22/h1,3-4,7-8,11-18,22,26-27H,2,5-6,9-10,19H2,(H,31,33)/t26-,27-/m0/s1
InChIKeyJSWNEBVYNYZVNH-SVBPBHIXSA-N
MW521.01 g/mol
LogP7.26
Rot. Bonds7

About [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate

[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate (PubChem CID 24946198) has the molecular formula C29H29ClN2O5 and a molecular weight of 521.01 g/mol. Its IUPAC name is [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate
PubChem CID24946198
Molecular FormulaC29H29ClN2O5
Molecular Weight521.01 g/mol
Exact Mass520.18
IUPAC Name[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC[C@@H]1OC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H29ClN2O5/c30-21-11-15-24(16-12-21)36-25-17-13-23(14-18-25)32-27(20-7-3-1-4-8-20)26(37-29(32)34)19-35-28(33)31-22-9-5-2-6-10-22/h1,3-4,7-8,11-18,22,26-27H,2,5-6,9-10,19H2,(H,31,33)/t26-,27-/m0/s1
InChIKeyJSWNEBVYNYZVNH-SVBPBHIXSA-N
XLogP7.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.01
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-4-(3-fluorocyclohexa-2,4-dien-1-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate
CID 143702841
(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 150152788
(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 9398550
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
benzyl 1-[[(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperidine-4-carboxylate
CID 59485696
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide
CID 10950969
phenyl N-cyclooctylcarbamate
CID 60636968
ethyl (4R,5S)-1-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)sulfonyl-2-oxo-5-phenylimidazolidine-4-carboxylate
CID 59485673
ethyl 3-[[(3R,4S)-1-(4-chlorophenyl)-2-oxo-4-phenylazetidin-3-yl]amino]but-2-enoate
CID 70575023
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate?
The IUPAC name of [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate (CID 24946198) is [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate.
What is the SMILES notation for [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate?
The canonical SMILES for [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OC[C@@H]1OC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H]1c1ccccc1.
What is the InChIKey of [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate?
The InChIKey is JSWNEBVYNYZVNH-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H29ClN2O5/c30-21-11-15-24(16-12-21)36-25-17-13-23(14-18-25)32-27(20-7-3-1-4-8-20)26(37-29(32)34)19-35-28(33)31-22-9-5-2-6-10-22/h1,3-4,7-8,11-18,22,26-27H,2,5-6,9-10,19H2,(H,31,33)/t26-,27-/m0/s1.
What are the key properties of [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate?
[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate has a molecular weight of 521.01 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate is sourced from PubChem (CID 24946198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).