(3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine

C16H15ClFNO2 — CID 166110225

IUPAC(3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine
SMILESFc1cccc(COc2cc([C@H]3CCON3)ccc2Cl)c1
InChIInChI=1S/C16H15ClFNO2/c17-14-5-4-12(15-6-7-21-19-15)9-16(14)20-10-11-2-1-3-13(18)8-11/h1-5,8-9,15,19H,6-7,10H2/t15-/m1/s1
InChIKeyJZURHSIKKAOVIV-OAHLLOKOSA-N
MW307.75 g/mol
LogP4.02
Rot. Bonds4

About (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine

(3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine (PubChem CID 166110225) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine.

Molecular Properties

Compound Name(3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine
PubChem CID166110225
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine
SMILESFc1cccc(COc2cc([C@H]3CCON3)ccc2Cl)c1
InChIInChI=1S/C16H15ClFNO2/c17-14-5-4-12(15-6-7-21-19-15)9-16(14)20-10-11-2-1-3-13(18)8-11/h1-5,8-9,15,19H,6-7,10H2/t15-/m1/s1
InChIKeyJZURHSIKKAOVIV-OAHLLOKOSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
(7R)-7-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137093716
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
N-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 70790014
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine?
The IUPAC name of (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine (CID 166110225) is (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine.
What is the SMILES notation for (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine?
The canonical SMILES for (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine is Fc1cccc(COc2cc([C@H]3CCON3)ccc2Cl)c1.
What is the InChIKey of (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine?
The InChIKey is JZURHSIKKAOVIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-14-5-4-12(15-6-7-21-19-15)9-16(14)20-10-11-2-1-3-13(18)8-11/h1-5,8-9,15,19H,6-7,10H2/t15-/m1/s1.
What are the key properties of (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine?
(3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine has a molecular weight of 307.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine is sourced from PubChem (CID 166110225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).