2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

C20H20N2O3 — CID 125419425

IUPAC2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESCO[C@@H](c1ccccc1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C20H20N2O3/c1-23-18(15-10-6-3-7-11-15)20-22-21-19(25-20)16-12-13-24-17(16)14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyBCXKBSVPVUFXNU-KSZLIROESA-N
MW336.39 g/mol
LogP4.05
Rot. Bonds5

About 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (PubChem CID 125419425) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
PubChem CID125419425
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESCO[C@@H](c1ccccc1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C20H20N2O3/c1-23-18(15-10-6-3-7-11-15)20-22-21-19(25-20)16-12-13-24-17(16)14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyBCXKBSVPVUFXNU-KSZLIROESA-N
XLogP4.05
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (CID 125419425) is 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is CO[C@@H](c1ccccc1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1.
What is the InChIKey of 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The InChIKey is BCXKBSVPVUFXNU-KSZLIROESA-N. The full InChI is InChI=1S/C20H20N2O3/c1-23-18(15-10-6-3-7-11-15)20-22-21-19(25-20)16-12-13-24-17(16)14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole has a molecular weight of 336.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 125419425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).