[(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol

C17H18ClNO2 — CID 11716435

IUPAC[(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol
SMILESOC[C@H]1CON(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c18-16-8-6-14(7-9-16)17-15(11-20)12-21-19(17)10-13-4-2-1-3-5-13/h1-9,15,17,20H,10-12H2/t15-,17+/m0/s1
InChIKeyJRSRSMXRCAVKSN-DOTOQJQBSA-N
MW303.79 g/mol
LogP3.44
Rot. Bonds4

About [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol

[(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol (PubChem CID 11716435) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol
PubChem CID11716435
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol
SMILESOC[C@H]1CON(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c18-16-8-6-14(7-9-16)17-15(11-20)12-21-19(17)10-13-4-2-1-3-5-13/h1-9,15,17,20H,10-12H2/t15-,17+/m0/s1
InChIKeyJRSRSMXRCAVKSN-DOTOQJQBSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-1-[(3R,4S)-1-benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidin-3-yl]-ethanol
CID 66999243
(S)-1-[(3R,4S)-1-benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidin-3-yl]-ethanol
CID 66999546
2-[(4R)-1-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67057912
2-[(4S)-1-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67057916
1-[(3R,4S)-1-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67057920
2-[1-Benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67057922
1-[1-Benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67057952
[1-[(4-Chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol
CID 162430562
(3S,4S)-2-[1-(4-chlorophenyl)ethyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 11751110
(3R,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidine-4-carbaldehyde
CID 12982844
(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidine-4-carbaldehyde
CID 101359343
[(3S,4S)-2-benzyl-3-phenyl-1,2-oxazolidin-4-yl]methanol
CID 101765527

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol (CID 11716435) is [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol is OC[C@H]1CON(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol?
The InChIKey is JRSRSMXRCAVKSN-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-16-8-6-14(7-9-16)17-15(11-20)12-21-19(17)10-13-4-2-1-3-5-13/h1-9,15,17,20H,10-12H2/t15-,17+/m0/s1.
What are the key properties of [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol?
[(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol has a molecular weight of 303.79 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol is sourced from PubChem (CID 11716435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).