4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine

C21H26N2O2 — CID 125027394

IUPAC4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
SMILESC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccc(N3CCOCC3)cc2)N1C
InChIInChI=1S/C21H26N2O2/c1-16-20(17-6-4-3-5-7-17)25-21(22(16)2)18-8-10-19(11-9-18)23-12-14-24-15-13-23/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-,21+/m1/s1
InChIKeyGPVLWMWZMUZIJB-HBGVWJBISA-N
MW338.45 g/mol
LogP3.61
Rot. Bonds3

About 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine

4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine (PubChem CID 125027394) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
PubChem CID125027394
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
SMILESC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccc(N3CCOCC3)cc2)N1C
InChIInChI=1S/C21H26N2O2/c1-16-20(17-6-4-3-5-7-17)25-21(22(16)2)18-8-10-19(11-9-18)23-12-14-24-15-13-23/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-,21+/m1/s1
InChIKeyGPVLWMWZMUZIJB-HBGVWJBISA-N
XLogP3.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline
CID 74028862
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
2-[(2R,4R,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 932898
4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol
CID 10804094
1-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-morpholin-4-ylphenyl)hydrazine
CID 123306233
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 26415005
4-(4-benzylphenyl)morpholine
CID 11514364
4-morpholin-4-yl-N-phenylaniline
CID 159018746
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
3-phenyl-1,3-oxazolidine
CID 519787
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine (CID 125027394) is 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine is C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccc(N3CCOCC3)cc2)N1C.
What is the InChIKey of 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine?
The InChIKey is GPVLWMWZMUZIJB-HBGVWJBISA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-20(17-6-4-3-5-7-17)25-21(22(16)2)18-8-10-19(11-9-18)23-12-14-24-15-13-23/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-,21+/m1/s1.
What are the key properties of 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine?
4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine has a molecular weight of 338.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine is sourced from PubChem (CID 125027394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).