(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine

C16H18N2O2 — CID 11558094

IUPAC(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@@H](c2cccnc2)N(c2ccccc2)O1
InChIInChI=1S/C16H18N2O2/c1-2-19-16-11-15(13-7-6-10-17-12-13)18(20-16)14-8-4-3-5-9-14/h3-10,12,15-16H,2,11H2,1H3/t15-,16+/m0/s1
InChIKeyHPXHXVQLPPABBZ-JKSUJKDBSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds4

About (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine

(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine (PubChem CID 11558094) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
PubChem CID11558094
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@@H](c2cccnc2)N(c2ccccc2)O1
InChIInChI=1S/C16H18N2O2/c1-2-19-16-11-15(13-7-6-10-17-12-13)18(20-16)14-8-4-3-5-9-14/h3-10,12,15-16H,2,11H2,1H3/t15-,16+/m0/s1
InChIKeyHPXHXVQLPPABBZ-JKSUJKDBSA-N
XLogP3.33
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine
CID 24854459
3-phenyl-2-pyridin-3-yloxaziridine
CID 19026281
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10420532
3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
CID 155208156
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 11819953
(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine
CID 23252843
2,5-diphenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 662085
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
3-(2-phenylmethoxycyclopropyl)pyridine
CID 174946029

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine?
The IUPAC name of (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine (CID 11558094) is (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine.
What is the SMILES notation for (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine?
The canonical SMILES for (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine is CCO[C@H]1C[C@@H](c2cccnc2)N(c2ccccc2)O1.
What is the InChIKey of (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine?
The InChIKey is HPXHXVQLPPABBZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-19-16-11-15(13-7-6-10-17-12-13)18(20-16)14-8-4-3-5-9-14/h3-10,12,15-16H,2,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine?
(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine has a molecular weight of 270.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine is sourced from PubChem (CID 11558094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).