(3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine

C19H23NO3 — CID 100957932

IUPAC(3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine
SMILESCOC1(OC)ON(Cc2ccccc2)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C19H23NO3/c1-15-18(17-12-8-5-9-13-17)20(23-19(15,21-2)22-3)14-16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/t15-,18-/m0/s1
InChIKeyGKQUFUCCFMLODD-YJBOKZPZSA-N
MW313.40 g/mol
LogP3.76
Rot. Bonds5

About (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine

(3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine (PubChem CID 100957932) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine
PubChem CID100957932
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine
SMILESCOC1(OC)ON(Cc2ccccc2)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C19H23NO3/c1-15-18(17-12-8-5-9-13-17)20(23-19(15,21-2)22-3)14-16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/t15-,18-/m0/s1
InChIKeyGKQUFUCCFMLODD-YJBOKZPZSA-N
XLogP3.76
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 704394
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
1-[1,3-Dioxan-5-yl(phenyl)methyl]pyrrolidine;hydrochloride
CID 12369993
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
(3S,5S)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504493
(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504494
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine (CID 100957932) is (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine is COC1(OC)ON(Cc2ccccc2)[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine?
The InChIKey is GKQUFUCCFMLODD-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15-18(17-12-8-5-9-13-17)20(23-19(15,21-2)22-3)14-16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine?
(3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine has a molecular weight of 313.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-benzyl-5,5-dimethoxy-4-methyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 100957932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).