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

C24H30N2O2 — CID 42603112

IUPAC(4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C[C@H]3COC(=O)N3C)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-18-4-3-14-26(18)15-13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)16-23-17-28-24(27)25(23)2/h5-12,18,23H,3-4,13-17H2,1-2H3/t18-,23+/m1/s1
InChIKeyVOKBTCLYAHGALA-JPYJTQIMSA-N
MW378.52 g/mol
LogP4.37
Rot. Bonds6

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

(4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 42603112) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID42603112
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C[C@H]3COC(=O)N3C)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-18-4-3-14-26(18)15-13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)16-23-17-28-24(27)25(23)2/h5-12,18,23H,3-4,13-17H2,1-2H3/t18-,23+/m1/s1
InChIKeyVOKBTCLYAHGALA-JPYJTQIMSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (CID 42603112) is (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(C[C@H]3COC(=O)N3C)cc2)cc1.
What is the InChIKey of (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is VOKBTCLYAHGALA-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-4-3-14-26(18)15-13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)16-23-17-28-24(27)25(23)2/h5-12,18,23H,3-4,13-17H2,1-2H3/t18-,23+/m1/s1.
What are the key properties of (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
(4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42603112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).