2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine

C11H13N3O — CID 170868647

IUPAC2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
SMILESCc1nc(-c2cccc(CCN)c2)no1
InChIInChI=1S/C11H13N3O/c1-8-13-11(14-15-8)10-4-2-3-9(7-10)5-6-12/h2-4,7H,5-6,12H2,1H3
InChIKeyQUBQURGHWIAWDQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.55
Rot. Bonds3

About 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine (PubChem CID 170868647) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
PubChem CID170868647
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
SMILESCc1nc(-c2cccc(CCN)c2)no1
InChIInChI=1S/C11H13N3O/c1-8-13-11(14-15-8)10-4-2-3-9(7-10)5-6-12/h2-4,7H,5-6,12H2,1H3
InChIKeyQUBQURGHWIAWDQ-UHFFFAOYSA-N
XLogP1.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170866028
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 123768629
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine
CID 11149259
2-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788751
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63839551
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170867952
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 158020415
N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877565

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine (CID 170868647) is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine is Cc1nc(-c2cccc(CCN)c2)no1.
What is the InChIKey of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine?
The InChIKey is QUBQURGHWIAWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-13-11(14-15-8)10-4-2-3-9(7-10)5-6-12/h2-4,7H,5-6,12H2,1H3.
What are the key properties of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine?
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 170868647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).