(4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one

C10H10ClNO2 — CID 11020194

IUPAC(4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1CCl
InChIInChI=1S/C10H10ClNO2/c11-7-12-9(6-14-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyJXVZZTVUBHREEL-VIFPVBQESA-N
MW211.65 g/mol
LogP2.38
Rot. Bonds2

About (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11020194) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11020194
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1CCl
InChIInChI=1S/C10H10ClNO2/c11-7-12-9(6-14-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyJXVZZTVUBHREEL-VIFPVBQESA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
4-Phenyloxazolidin-2-one
CID 349728
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
5-Benzyl-3-methyl-1,3-oxazolidin-2-one
CID 3046888
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one (CID 11020194) is (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1CCl.
What is the InChIKey of (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JXVZZTVUBHREEL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-7-12-9(6-14-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1.
What are the key properties of (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11020194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).