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

C12H13N3O — CID 43525244

IUPAC3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCC1CC1c1nc(-c2cccc(N)c2)no1
InChIInChI=1S/C12H13N3O/c1-7-5-10(7)12-14-11(15-16-12)8-3-2-4-9(13)6-8/h2-4,6-7,10H,5,13H2,1H3
InChIKeyZMADLEHXVDFXAQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.44
Rot. Bonds2

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

3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 43525244) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID43525244
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCC1CC1c1nc(-c2cccc(N)c2)no1
InChIInChI=1S/C12H13N3O/c1-7-5-10(7)12-14-11(15-16-12)8-3-2-4-9(13)6-8/h2-4,6-7,10H,5,13H2,1H3
InChIKeyZMADLEHXVDFXAQ-UHFFFAOYSA-N
XLogP2.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.44
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-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 81424995
3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103837281
5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 139000879
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 62387381
5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 97064055
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
3-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 115619586
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811688
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline (CID 43525244) is 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline is CC1CC1c1nc(-c2cccc(N)c2)no1.
What is the InChIKey of 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is ZMADLEHXVDFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-5-10(7)12-14-11(15-16-12)8-3-2-4-9(13)6-8/h2-4,6-7,10H,5,13H2,1H3.
What are the key properties of 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline?
3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 215.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 43525244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).