(5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine

C19H23NO3 — CID 59245123

IUPAC(5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine
SMILESCOc1cccc(OC)c1C1O[C@@H](C)C(c2ccccc2)N1C
InChIInChI=1S/C19H23NO3/c1-13-18(14-9-6-5-7-10-14)20(2)19(23-13)17-15(21-3)11-8-12-16(17)22-4/h5-13,18-19H,1-4H3/t13-,18?,19?/m0/s1
InChIKeyVXJAMXKUTWNLOM-MDAWKPQNSA-N
MW313.40 g/mol
LogP3.79
Rot. Bonds4

About (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine

(5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine (PubChem CID 59245123) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine
PubChem CID59245123
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine
SMILESCOc1cccc(OC)c1C1O[C@@H](C)C(c2ccccc2)N1C
InChIInChI=1S/C19H23NO3/c1-13-18(14-9-6-5-7-10-14)20(2)19(23-13)17-15(21-3)11-8-12-16(17)22-4/h5-13,18-19H,1-4H3/t13-,18?,19?/m0/s1
InChIKeyVXJAMXKUTWNLOM-MDAWKPQNSA-N
XLogP3.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine?
The IUPAC name of (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine (CID 59245123) is (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine is COc1cccc(OC)c1C1O[C@@H](C)C(c2ccccc2)N1C.
What is the InChIKey of (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine?
The InChIKey is VXJAMXKUTWNLOM-MDAWKPQNSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-18(14-9-6-5-7-10-14)20(2)19(23-13)17-15(21-3)11-8-12-16(17)22-4/h5-13,18-19H,1-4H3/t13-,18?,19?/m0/s1.
What are the key properties of (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine?
(5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine has a molecular weight of 313.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 59245123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).