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

C11H13N3O — CID 82469844

IUPAC2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
SMILESCc1nnc(-c2ccc(CCN)cc2)o1
InChIInChI=1S/C11H13N3O/c1-8-13-14-11(15-8)10-4-2-9(3-5-10)6-7-12/h2-5H,6-7,12H2,1H3
InChIKeyAFPAMZWZGUDONU-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.55
Rot. Bonds3

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

2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine (PubChem CID 82469844) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
PubChem CID82469844
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
SMILESCc1nnc(-c2ccc(CCN)cc2)o1
InChIInChI=1S/C11H13N3O/c1-8-13-14-11(15-8)10-4-2-9(3-5-10)6-7-12/h2-5H,6-7,12H2,1H3
InChIKeyAFPAMZWZGUDONU-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

2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 70775236
4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine
CID 170870126
(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine
CID 122596131
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline
CID 165056405
4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
CID 171831830
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine (CID 82469844) is 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine is Cc1nnc(-c2ccc(CCN)cc2)o1.
What is the InChIKey of 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine?
The InChIKey is AFPAMZWZGUDONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-13-14-11(15-8)10-4-2-9(3-5-10)6-7-12/h2-5H,6-7,12H2,1H3.
What are the key properties of 2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine?
2-[4-(5-methyl-1,3,4-oxadiazol-2-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-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 82469844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).