(2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole

C18H19NO — CID 134924669

IUPAC(2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
SMILESc1ccc([C@@H]2[C@H](c3ccccc3)O[C@H]3CCCN32)cc1
InChIInChI=1S/C18H19NO/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)20-16-12-7-13-19(16)17/h1-6,8-11,16-18H,7,12-13H2/t16-,17+,18-/m0/s1
InChIKeyLQHYEYCOOMHOTD-KSZLIROESA-N
MW265.36 g/mol
LogP3.92
Rot. Bonds2

About (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole

(2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole (PubChem CID 134924669) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
PubChem CID134924669
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
SMILESc1ccc([C@@H]2[C@H](c3ccccc3)O[C@H]3CCCN32)cc1
InChIInChI=1S/C18H19NO/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)20-16-12-7-13-19(16)17/h1-6,8-11,16-18H,7,12-13H2/t16-,17+,18-/m0/s1
InChIKeyLQHYEYCOOMHOTD-KSZLIROESA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole (CID 134924669) is (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole is c1ccc([C@@H]2[C@H](c3ccccc3)O[C@H]3CCCN32)cc1.
What is the InChIKey of (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The InChIKey is LQHYEYCOOMHOTD-KSZLIROESA-N. The full InChI is InChI=1S/C18H19NO/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)20-16-12-7-13-19(16)17/h1-6,8-11,16-18H,7,12-13H2/t16-,17+,18-/m0/s1.
What are the key properties of (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
(2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole has a molecular weight of 265.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,7aS)-2,3-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 134924669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).