5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine

C10H11N3O — CID 14199524

IUPAC5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCc2ccccc2)o1
InChIInChI=1S/C10H11N3O/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)
InChIKeyHOUJXRMAYWZMHT-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.44
Rot. Bonds3

About 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine

5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 14199524) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID14199524
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCc2ccccc2)o1
InChIInChI=1S/C10H11N3O/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)
InChIKeyHOUJXRMAYWZMHT-UHFFFAOYSA-N
XLogP1.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Benzyl-1,3,4-oxadiazol-2-amine
CID 2756634
5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 21919319
1,3,4-Oxadiazole, 2-amino-5-(diphenylmethyl)-
CID 201252
5-[(4-Chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 356890
2-(2-Cyclohexylethyl)-5-(3-phenylpropyl)-1,3,4-oxadiazole
CID 145961120
2-(2-Phenylethyl)-5-(3-phenylpropyl)-1,3,4-oxadiazole
CID 145962660
5-(4-Bromobenzyl)-1,3,4-oxadiazol-2-amine
CID 356896
5-(1,2-Diphenylethyl)-1,3,4-oxadiazol-2(3H)-imine
CID 3061059
5-[(2-Chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 18070416
2,5-Bis(3-phenylpropyl)-1,3,4-oxadiazole
CID 145961180
2-Benzyl-5-methyl-1,3,4-oxadiazole
CID 13004919
5-(2-Phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 20113403

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (CID 14199524) is 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(CCc2ccccc2)o1.
What is the InChIKey of 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HOUJXRMAYWZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13).
What are the key properties of 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 189.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 14199524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).