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

C18H21NO2 — CID 904925

IUPAC(2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESCOc1ccc([C@@H]2O[C@@H](c3ccccc3)[C@H](C)N2C)cc1
InChIInChI=1S/C18H21NO2/c1-13-17(14-7-5-4-6-8-14)21-18(19(13)2)15-9-11-16(20-3)12-10-15/h4-13,17-18H,1-3H3/t13-,17+,18-/m0/s1
InChIKeyRNZDGSZNMWOYLM-VHSSKADRSA-N
MW283.37 g/mol
LogP3.79
Rot. Bonds3

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

(2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (PubChem CID 904925) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
PubChem CID904925
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESCOc1ccc([C@@H]2O[C@@H](c3ccccc3)[C@H](C)N2C)cc1
InChIInChI=1S/C18H21NO2/c1-13-17(14-7-5-4-6-8-14)21-18(19(13)2)15-9-11-16(20-3)12-10-15/h4-13,17-18H,1-3H3/t13-,17+,18-/m0/s1
InChIKeyRNZDGSZNMWOYLM-VHSSKADRSA-N
XLogP3.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24936098
4-Cyclopentyl-2-((4-(pyrrolidin-1-ylmethyl)phenoxy)methyl)morpholine
CID 44581098
N-benzyl-4-(4-methoxyphenyl)-N-methyl-2-butanamine
CID 2846452
3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2(3H)-one
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2-(4-Methoxyphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547841

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (CID 904925) is (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is COc1ccc([C@@H]2O[C@@H](c3ccccc3)[C@H](C)N2C)cc1.
What is the InChIKey of (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The InChIKey is RNZDGSZNMWOYLM-VHSSKADRSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-17(14-7-5-4-6-8-14)21-18(19(13)2)15-9-11-16(20-3)12-10-15/h4-13,17-18H,1-3H3/t13-,17+,18-/m0/s1.
What are the key properties of (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
(2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine has a molecular weight of 283.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 904925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).