[(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol

C16H16ClNO2 — CID 100914739

IUPAC[(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)[C@@H]1CO[C@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H16ClNO2/c17-13-8-6-12(7-9-13)16-18-14(10-20-16)15(19)11-4-2-1-3-5-11/h1-9,14-16,18-19H,10H2/t14-,15?,16+/m0/s1
InChIKeyCOZGXXSAEWUXQZ-DLDKDUQYSA-N
MW289.76 g/mol
LogP3.06
Rot. Bonds3

About [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol

[(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol (PubChem CID 100914739) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol
PubChem CID100914739
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)[C@@H]1CO[C@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H16ClNO2/c17-13-8-6-12(7-9-13)16-18-14(10-20-16)15(19)11-4-2-1-3-5-11/h1-9,14-16,18-19H,10H2/t14-,15?,16+/m0/s1
InChIKeyCOZGXXSAEWUXQZ-DLDKDUQYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1,3-oxazolidine-4-carbothialdehyde
CID 141379634
phenyl-(5-phenylpyrrolidin-2-yl)methanol
CID 70528042
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
CID 62803673
(2S)-N-[(3S,7S,8aS)-3-(4-chlorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-hydroxy-2-phenylacetamide
CID 155505751
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol
CID 102280064
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
(2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane
CID 23660244
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol?
The IUPAC name of [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol (CID 100914739) is [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol.
What is the SMILES notation for [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol?
The canonical SMILES for [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol is OC(c1ccccc1)[C@@H]1CO[C@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol?
The InChIKey is COZGXXSAEWUXQZ-DLDKDUQYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-8-6-12(7-9-13)16-18-14(10-20-16)15(19)11-4-2-1-3-5-11/h1-9,14-16,18-19H,10H2/t14-,15?,16+/m0/s1.
What are the key properties of [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol?
[(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol has a molecular weight of 289.76 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol is sourced from PubChem (CID 100914739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).