(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine

C13H19NO — CID 102061324

IUPAC(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
SMILESCC(C)N1[C@H](C)OC[C@H]1c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)14-11(3)15-9-13(14)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13-/m0/s1
InChIKeySKYLOXXXFUMCIO-AAEUAGOBSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds2

About (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine

(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine (PubChem CID 102061324) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
PubChem CID102061324
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
SMILESCC(C)N1[C@H](C)OC[C@H]1c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)14-11(3)15-9-13(14)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13-/m0/s1
InChIKeySKYLOXXXFUMCIO-AAEUAGOBSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
CID 14935545
(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
CID 10548499
2-phenyl-1,5-di(propan-2-yl)pyrrolidine
CID 21303250
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol
CID 11241219
(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide
CID 23584844
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876
(3S,7S,7aR)-7-methyl-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 10443341
(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
CID 14738791
4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine
CID 133429168
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine
CID 163468254

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine (CID 102061324) is (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine is CC(C)N1[C@H](C)OC[C@H]1c1ccccc1.
What is the InChIKey of (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine?
The InChIKey is SKYLOXXXFUMCIO-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14-11(3)15-9-13(14)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine?
(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine has a molecular weight of 205.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 102061324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).