N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C15H21N3O2 — CID 62163061

IUPACN-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C15H21N3O2/c1-3-10-16-12(2)15-18-17-14(20-15)9-11-19-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyQBHRWQGEBPUIKO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds8

About N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62163061) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62163061
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C15H21N3O2/c1-3-10-16-12(2)15-18-17-14(20-15)9-11-19-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyQBHRWQGEBPUIKO-UHFFFAOYSA-N
XLogP2.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857431
3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138928
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62504986
N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162889
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
N-[1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62163410
N-[1-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163060
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619546
N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960360
N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183384

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62163061) is N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(CCOc2ccccc2)o1.
What is the InChIKey of N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is QBHRWQGEBPUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10-16-12(2)15-18-17-14(20-15)9-11-19-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3.
What are the key properties of N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62163061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).