5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one

C22H26N2O2 — CID 42603156

IUPAC5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C3CNC(=O)O3)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-3-2-13-24(16)14-12-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-15-23-22(25)26-21/h4-11,16,21H,2-3,12-15H2,1H3,(H,23,25)/t16-,21?/m1/s1
InChIKeyOFUXXJKBVCPRRQ-UJONTBEJSA-N
MW350.46 g/mol
LogP4.16
Rot. Bonds5

About 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one

5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 42603156) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID42603156
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C3CNC(=O)O3)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-3-2-13-24(16)14-12-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-15-23-22(25)26-21/h4-11,16,21H,2-3,12-15H2,1H3,(H,23,25)/t16-,21?/m1/s1
InChIKeyOFUXXJKBVCPRRQ-UJONTBEJSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one (CID 42603156) is 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(C3CNC(=O)O3)cc2)cc1.
What is the InChIKey of 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OFUXXJKBVCPRRQ-UJONTBEJSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-3-2-13-24(16)14-12-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-15-23-22(25)26-21/h4-11,16,21H,2-3,12-15H2,1H3,(H,23,25)/t16-,21?/m1/s1.
What are the key properties of 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42603156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).