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

C22H25ClN2O2 — CID 42603160

IUPAC(4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc([C@@H]3COC(=O)N3)cc2Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c1-15-3-2-11-25(15)12-10-16-4-6-17(7-5-16)19-9-8-18(13-20(19)23)21-14-27-22(26)24-21/h4-9,13,15,21H,2-3,10-12,14H2,1H3,(H,24,26)/t15-,21+/m1/s1
InChIKeyKNCXRGCCGKGKLA-VFNWGFHPSA-N
MW384.91 g/mol
LogP4.81
Rot. Bonds5

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

(4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 42603160) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID42603160
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc([C@@H]3COC(=O)N3)cc2Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c1-15-3-2-11-25(15)12-10-16-4-6-17(7-5-16)19-9-8-18(13-20(19)23)21-14-27-22(26)24-21/h4-9,13,15,21H,2-3,10-12,14H2,1H3,(H,24,26)/t15-,21+/m1/s1
InChIKeyKNCXRGCCGKGKLA-VFNWGFHPSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 42603156
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-dioxol-2-one
CID 141238596
(2R)-1-[2-[4-[4-(aziridin-1-ylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 24886607
N-[(3,5-dichlorophenyl)methyl]-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 68596147
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
1-[(5S)-6-chloro-5-methyl-8-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 59635368
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(2S)-1-[2-[4-[4-(2-methoxyethylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 24897681
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
CID 24897480
(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 69118514

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one (CID 42603160) is (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc([C@@H]3COC(=O)N3)cc2Cl)cc1.
What is the InChIKey of (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KNCXRGCCGKGKLA-VFNWGFHPSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-3-2-11-25(15)12-10-16-4-6-17(7-5-16)19-9-8-18(13-20(19)23)21-14-27-22(26)24-21/h4-9,13,15,21H,2-3,10-12,14H2,1H3,(H,24,26)/t15-,21+/m1/s1.
What are the key properties of (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
(4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 384.91 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-chloro-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42603160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).