ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

C12H17N3O — CID 171813495

IUPACethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCC.Cc1noc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10;1-2/h3-5H,11H2,1-2H3;1-2H3
InChIKeyZVPDQTRIIRCTHD-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.96
Rot. Bonds1

About ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 171813495) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Nameethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID171813495
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Nameethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCC.Cc1noc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10;1-2/h3-5H,11H2,1-2H3;1-2H3
InChIKeyZVPDQTRIIRCTHD-UHFFFAOYSA-N
XLogP2.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.96
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

2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 79614402
2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79954570
5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 171795351
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole
CID 58078831
2-methyl-5-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80619996
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 64982491
5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
CID 82471138
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 171813495) is ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is CC.Cc1noc(-c2ccc(C)c(N)c2)n1.
What is the InChIKey of ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is ZVPDQTRIIRCTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C2H6/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10;1-2/h3-5H,11H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 219.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 171813495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).