(3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine

C11H14ClNO2 — CID 155128148

IUPAC(3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine
SMILESCOc1c(Cl)cccc1C[C@H]1CCON1
InChIInChI=1S/C11H14ClNO2/c1-14-11-8(3-2-4-10(11)12)7-9-5-6-15-13-9/h2-4,9,13H,5-7H2,1H3/t9-/m1/s1
InChIKeyOSXIAIFJUPWQES-SECBINFHSA-N
MW227.69 g/mol
LogP2.18
Rot. Bonds3

About (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine

(3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine (PubChem CID 155128148) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine
PubChem CID155128148
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine
SMILESCOc1c(Cl)cccc1C[C@H]1CCON1
InChIInChI=1S/C11H14ClNO2/c1-14-11-8(3-2-4-10(11)12)7-9-5-6-15-13-9/h2-4,9,13H,5-7H2,1H3/t9-/m1/s1
InChIKeyOSXIAIFJUPWQES-SECBINFHSA-N
XLogP2.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine?
The IUPAC name of (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine (CID 155128148) is (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine?
The canonical SMILES for (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine is COc1c(Cl)cccc1C[C@H]1CCON1.
What is the InChIKey of (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine?
The InChIKey is OSXIAIFJUPWQES-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-14-11-8(3-2-4-10(11)12)7-9-5-6-15-13-9/h2-4,9,13H,5-7H2,1H3/t9-/m1/s1.
What are the key properties of (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine?
(3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine has a molecular weight of 227.69 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine is sourced from PubChem (CID 155128148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).