4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline

C19H24N2O — CID 74028862

IUPAC4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline
SMILESCC1C(c2ccccc2)OC(c2ccc(N(C)C)cc2)N1C
InChIInChI=1S/C19H24N2O/c1-14-18(15-8-6-5-7-9-15)22-19(21(14)4)16-10-12-17(13-11-16)20(2)3/h5-14,18-19H,1-4H3
InChIKeyBSAVMZXMIYLXLG-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.84
Rot. Bonds3

About 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline

4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline (PubChem CID 74028862) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline
PubChem CID74028862
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline
SMILESCC1C(c2ccccc2)OC(c2ccc(N(C)C)cc2)N1C
InChIInChI=1S/C19H24N2O/c1-14-18(15-8-6-5-7-9-15)22-19(21(14)4)16-10-12-17(13-11-16)20(2)3/h5-14,18-19H,1-4H3
InChIKeyBSAVMZXMIYLXLG-UHFFFAOYSA-N
XLogP3.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
CID 125027394
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
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 26415005
2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
CID 102331412
2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 102275565
N,N-dimethylaniline
CID 70392672
[4-(dimethylamino)phenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110746618
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
CID 11349970
N,N-dimethylaniline;hydrofluoride
CID 160775229

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline (CID 74028862) is 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline is CC1C(c2ccccc2)OC(c2ccc(N(C)C)cc2)N1C.
What is the InChIKey of 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline?
The InChIKey is BSAVMZXMIYLXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-18(15-8-6-5-7-9-15)22-19(21(14)4)16-10-12-17(13-11-16)20(2)3/h5-14,18-19H,1-4H3.
What are the key properties of 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline?
4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline has a molecular weight of 296.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 74028862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).