N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline

C25H24N2O — CID 10270397

IUPACN,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline
SMILESCCN(CC)c1cccc(-c2cnc(-c3ccccc3-c3ccccc3)o2)c1
InChIInChI=1S/C25H24N2O/c1-3-27(4-2)21-14-10-13-20(17-21)24-18-26-25(28-24)23-16-9-8-15-22(23)19-11-6-5-7-12-19/h5-18H,3-4H2,1-2H3
InChIKeyPUKQUWBXKDIVME-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.52
Rot. Bonds6

About N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline

N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline (PubChem CID 10270397) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline
PubChem CID10270397
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC NameN,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline
SMILESCCN(CC)c1cccc(-c2cnc(-c3ccccc3-c3ccccc3)o2)c1
InChIInChI=1S/C25H24N2O/c1-3-27(4-2)21-14-10-13-20(17-21)24-18-26-25(28-24)23-16-9-8-15-22(23)19-11-6-5-7-12-19/h5-18H,3-4H2,1-2H3
InChIKeyPUKQUWBXKDIVME-UHFFFAOYSA-N
XLogP6.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol
CID 142748412
N,N-diphenyl-3-[5-[2-[5-[3-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 66614461
N-(cyclopropylmethyl)-N-ethyl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 86939454
2-phenoxathiin-1-yl-5-phenyl-1,3-oxazole
CID 91119995
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
N,N-diethylaniline
CID 7061
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
8-(5-phenyl-1,3-oxazol-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 3101909
N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
CID 141128904
N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102034905
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline?
The IUPAC name of N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline (CID 10270397) is N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline.
What is the SMILES notation for N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline?
The canonical SMILES for N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline is CCN(CC)c1cccc(-c2cnc(-c3ccccc3-c3ccccc3)o2)c1.
What is the InChIKey of N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline?
The InChIKey is PUKQUWBXKDIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-3-27(4-2)21-14-10-13-20(17-21)24-18-26-25(28-24)23-16-9-8-15-22(23)19-11-6-5-7-12-19/h5-18H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline?
N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline has a molecular weight of 368.48 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline is sourced from PubChem (CID 10270397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).