N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline

C29H26N2O — CID 139802778

IUPACN,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C29H26N2O/c1-3-31(4-2)24-19-17-23(18-20-24)29-30-27(28(32-29)22-12-6-5-7-13-22)26-16-10-14-21-11-8-9-15-25(21)26/h5-20H,3-4H2,1-2H3
InChIKeyAFCFQEAZLMITSP-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.68
Rot. Bonds6

About N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline

N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline (PubChem CID 139802778) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline
PubChem CID139802778
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC NameN,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C29H26N2O/c1-3-31(4-2)24-19-17-23(18-20-24)29-30-27(28(32-29)22-12-6-5-7-13-22)26-16-10-14-21-11-8-9-15-25(21)26/h5-20H,3-4H2,1-2H3
InChIKeyAFCFQEAZLMITSP-UHFFFAOYSA-N
XLogP7.68
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
CID 71339197
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-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 16759407
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
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-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
CID 167125084
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 173207485
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline (CID 139802778) is N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline is CCN(CC)c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)o2)cc1.
What is the InChIKey of N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline?
The InChIKey is AFCFQEAZLMITSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O/c1-3-31(4-2)24-19-17-23(18-20-24)29-30-27(28(32-29)22-12-6-5-7-13-22)26-16-10-14-21-11-8-9-15-25(21)26/h5-20H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline?
N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline has a molecular weight of 418.54 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 139802778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).