3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline

C16H15N3O — CID 43525251

IUPAC3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCCc1ccc(-c2nc(-c3cccc(N)c3)no2)cc1
InChIInChI=1S/C16H15N3O/c1-2-11-6-8-12(9-7-11)16-18-15(19-20-16)13-4-3-5-14(17)10-13/h3-10H,2,17H2,1H3
InChIKeyNOHGUBHFODSSOL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.55
Rot. Bonds3

About 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline

3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 43525251) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID43525251
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCCc1ccc(-c2nc(-c3cccc(N)c3)no2)cc1
InChIInChI=1S/C16H15N3O/c1-2-11-6-8-12(9-7-11)16-18-15(19-20-16)13-4-3-5-14(17)10-13/h3-10H,2,17H2,1H3
InChIKeyNOHGUBHFODSSOL-UHFFFAOYSA-N
XLogP3.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330658
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 65210064
N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
CID 141194678
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
3-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63743862
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
3-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 79755139
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline (CID 43525251) is 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline is CCc1ccc(-c2nc(-c3cccc(N)c3)no2)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is NOHGUBHFODSSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-11-6-8-12(9-7-11)16-18-15(19-20-16)13-4-3-5-14(17)10-13/h3-10H,2,17H2,1H3.
What are the key properties of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline?
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 265.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 43525251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).