2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole

C20H20N2O2 — CID 90742485

IUPAC2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole
SMILESCO[C@@H]1CN[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)C1
InChIInChI=1S/C20H20N2O2/c1-23-16-12-17(21-13-16)20-22-18(14-8-4-2-5-9-14)19(24-20)15-10-6-3-7-11-15/h2-11,16-17,21H,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyKHZXDNHWAQYPPO-DLBZAZTESA-N
MW320.39 g/mol
LogP4.06
Rot. Bonds4

About 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole

2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole (PubChem CID 90742485) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole
PubChem CID90742485
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole
SMILESCO[C@@H]1CN[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)C1
InChIInChI=1S/C20H20N2O2/c1-23-16-12-17(21-13-16)20-22-18(14-8-4-2-5-9-14)19(24-20)15-10-6-3-7-11-15/h2-11,16-17,21H,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyKHZXDNHWAQYPPO-DLBZAZTESA-N
XLogP4.06
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole (CID 90742485) is 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole is CO[C@@H]1CN[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)C1.
What is the InChIKey of 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is KHZXDNHWAQYPPO-DLBZAZTESA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-16-12-17(21-13-16)20-22-18(14-8-4-2-5-9-14)19(24-20)15-10-6-3-7-11-15/h2-11,16-17,21H,12-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole?
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 320.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 90742485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).