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

C18H19N3O — CID 110653733

IUPAC4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESCCc1ccc(NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O/c1-2-14-8-10-16(11-9-14)19-13-12-17-20-21-18(22-17)15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3
InChIKeyDCVQZABNHVUBHC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.95
Rot. Bonds6

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

4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (PubChem CID 110653733) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
PubChem CID110653733
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESCCc1ccc(NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O/c1-2-14-8-10-16(11-9-14)19-13-12-17-20-21-18(22-17)15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3
InChIKeyDCVQZABNHVUBHC-UHFFFAOYSA-N
XLogP3.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
CID 110653777
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320446
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164161
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 110653706
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (CID 110653733) is 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is CCc1ccc(NCCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The InChIKey is DCVQZABNHVUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-14-8-10-16(11-9-14)19-13-12-17-20-21-18(22-17)15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 110653733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).