4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine

C20H24N4O — CID 110653777

IUPAC4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H24N4O/c1-3-24(4-2)18-12-10-17(11-13-18)21-15-14-19-22-23-20(25-19)16-8-6-5-7-9-16/h5-13,21H,3-4,14-15H2,1-2H3
InChIKeyOMDFDEJWXLHUQP-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.24
Rot. Bonds8

About 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine (PubChem CID 110653777) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
PubChem CID110653777
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H24N4O/c1-3-24(4-2)18-12-10-17(11-13-18)21-15-14-19-22-23-20(25-19)16-8-6-5-7-9-16/h5-13,21H,3-4,14-15H2,1-2H3
InChIKeyOMDFDEJWXLHUQP-UHFFFAOYSA-N
XLogP4.24
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653733
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
CID 110652066
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
CID 110653635
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 24304
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471
5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine
CID 133403761

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine (CID 110653777) is 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine?
The InChIKey is OMDFDEJWXLHUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-24(4-2)18-12-10-17(11-13-18)21-15-14-19-22-23-20(25-19)16-8-6-5-7-9-16/h5-13,21H,3-4,14-15H2,1-2H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 110653777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).