4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline

C23H20N2O — CID 18330802

IUPAC4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O/c1-25(2)20-15-13-17(14-16-20)21-22(18-9-5-3-6-10-18)26-23(24-21)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyFATMRNKHKKKOLC-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.74
Rot. Bonds4

About 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline

4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline (PubChem CID 18330802) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
PubChem CID18330802
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O/c1-25(2)20-15-13-17(14-16-20)21-22(18-9-5-3-6-10-18)26-23(24-21)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyFATMRNKHKKKOLC-UHFFFAOYSA-N
XLogP5.74
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxaprozin
CID 4614
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
RS-504393
CID 9953769
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-(2'-Methylphenyl)benzoxazole
CID 154899
Dimethyl-POPOP
CID 76491
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Diphenyloxazole
CID 168750

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline (CID 18330802) is 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(-c3ccccc3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline?
The InChIKey is FATMRNKHKKKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-25(2)20-15-13-17(14-16-20)21-22(18-9-5-3-6-10-18)26-23(24-21)19-11-7-4-8-12-19/h3-16H,1-2H3.
What are the key properties of 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline?
4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline has a molecular weight of 340.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline is sourced from PubChem (CID 18330802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).