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

C11H15NO — CID 15688641

IUPAC(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C11H15NO/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m1/s1
InChIKeyJWUVAPHBWUUXQE-SNVBAGLBSA-N
MW177.25 g/mol
LogP2.08
Rot. Bonds1

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

(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine (PubChem CID 15688641) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine
PubChem CID15688641
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C11H15NO/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m1/s1
InChIKeyJWUVAPHBWUUXQE-SNVBAGLBSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
4-Phenyloxazolidin-2-one
CID 349728
2,3-Dimethyl-2-phenyl-1,3-oxazolidine
CID 388442
Oxazolidine, 4-methyl-5-phenyl-2-trifluoromethyl-
CID 207926
3-(4-Fluorophenyl)morpholine
CID 3831072
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
3-Phenylmorpholine
CID 3613837
2-Methoxy-1-phenylethan-1-amine
CID 11105539

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine?
The IUPAC name of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine (CID 15688641) is (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine is CC1(C)N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine?
The InChIKey is JWUVAPHBWUUXQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine?
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine has a molecular weight of 177.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 15688641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).