4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline

C27H29N3O3 — CID 23199290

IUPAC4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline
SMILESCCON(OCC)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-5-31-30(32-6-2)24-18-12-20(13-19-24)25-26(21-10-8-7-9-11-21)33-27(28-25)22-14-16-23(17-15-22)29(3)4/h7-19H,5-6H2,1-4H3
InChIKeyWPISRHKFEUTURC-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.45
Rot. Bonds9

About 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline

4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline (PubChem CID 23199290) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline.

Molecular Properties

Compound Name4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline
PubChem CID23199290
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline
SMILESCCON(OCC)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-5-31-30(32-6-2)24-18-12-20(13-19-24)25-26(21-10-8-7-9-11-21)33-27(28-25)22-14-16-23(17-15-22)29(3)4/h7-19H,5-6H2,1-4H3
InChIKeyWPISRHKFEUTURC-UHFFFAOYSA-N
XLogP6.45
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
CID 18330802
4-[2-[4-[(E)-2-[4-[(E)-2-[4-[4-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-dimethylaniline
CID 58939652
4-[2-[4-[2-[4-[2-[2-[4-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-dimethylaniline
CID 69129528
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
4-[2,4-bis[4-(dimethylamino)phenyl]-1,3-oxazol-5-yl]-2,6-dimethoxyphenol
CID 22159164
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline
CID 139802778
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline
CID 58939655
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline?
The IUPAC name of 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline (CID 23199290) is 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline.
What is the SMILES notation for 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline?
The canonical SMILES for 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline is CCON(OCC)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline?
The InChIKey is WPISRHKFEUTURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-5-31-30(32-6-2)24-18-12-20(13-19-24)25-26(21-10-8-7-9-11-21)33-27(28-25)22-14-16-23(17-15-22)29(3)4/h7-19H,5-6H2,1-4H3.
What are the key properties of 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline?
4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline has a molecular weight of 443.55 g/mol, XLogP of 6.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline is sourced from PubChem (CID 23199290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).