4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline

C10H11N3O — CID 11344484

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCCc1nc(-c2ccc(N)cc2)no1
InChIInChI=1S/C10H11N3O/c1-2-9-12-10(13-14-9)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3
InChIKeyGBCCZEVTBFBSTB-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.88
Rot. Bonds2

About 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline

4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline (PubChem CID 11344484) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline
PubChem CID11344484
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCCc1nc(-c2ccc(N)cc2)no1
InChIInChI=1S/C10H11N3O/c1-2-9-12-10(13-14-9)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3
InChIKeyGBCCZEVTBFBSTB-UHFFFAOYSA-N
XLogP1.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.88
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

Phenylmethyloxadiazole
CID 98806
4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)aniline
CID 12056873
Sodium perchlorate hydrate
CID 270750
3-(5-Propyl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 943777
3-(5-Ethyl-[1,2,4]oxadiazol-3-yl)-7-methyl-quinolin-2-ol
CID 654916
3-(5-Isopropyl-1,2,4-oxadiazol-3-YL)-6-methylquinolin-2-OL
CID 942348
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 22493359
6-Methyl-3-(5-propyl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 939468
3-(4-Nitrophenyl)-1,2,4-oxadiazole-5-propanoic acid
CID 737284
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
CID 3858087
4-(1,2,4-Oxadiazol-3-yl)aniline
CID 21483704

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline (CID 11344484) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline is CCc1nc(-c2ccc(N)cc2)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is GBCCZEVTBFBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-9-12-10(13-14-9)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3.
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 11344484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).