2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine

C14H13N3O2 — CID 82020897

IUPAC2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nnc(-c2ccco2)o1
InChIInChI=1S/C14H13N3O2/c15-9-11(10-5-2-1-3-6-10)13-16-17-14(19-13)12-7-4-8-18-12/h1-8,11H,9,15H2
InChIKeyGXCQRLTULDZXEI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.42
Rot. Bonds4

About 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine

2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine (PubChem CID 82020897) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
PubChem CID82020897
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nnc(-c2ccco2)o1
InChIInChI=1S/C14H13N3O2/c15-9-11(10-5-2-1-3-6-10)13-16-17-14(19-13)12-7-4-8-18-12/h1-8,11H,9,15H2
InChIKeyGXCQRLTULDZXEI-UHFFFAOYSA-N
XLogP2.42
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 82020898
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
CID 3576831
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 55129005
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82158215
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 17475511
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 18197019

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
The IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine (CID 82020897) is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
The canonical SMILES for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine is NCC(c1ccccc1)c1nnc(-c2ccco2)o1.
What is the InChIKey of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
The InChIKey is GXCQRLTULDZXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-9-11(10-5-2-1-3-6-10)13-16-17-14(19-13)12-7-4-8-18-12/h1-8,11H,9,15H2.
What are the key properties of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine?
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine has a molecular weight of 255.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine is sourced from PubChem (CID 82020897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).