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

C13H17N3O2 — CID 62857431

IUPAC1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-2-11(14)13-16-15-12(18-13)8-9-17-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3
InChIKeySXKXXUKXIPHNOO-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.10
Rot. Bonds6

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

1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62857431) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62857431
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-2-11(14)13-16-15-12(18-13)8-9-17-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3
InChIKeySXKXXUKXIPHNOO-UHFFFAOYSA-N
XLogP2.10
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62854904
N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163061
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138928
5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619546
2-[chloro(phenyl)methyl]-5-(2-ethoxyethyl)-1,3,4-oxadiazole
CID 55091885
1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43470343
3-methyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43108787
2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656038
5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole
CID 141088768
1-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857911
4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline
CID 82472359

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62857431) is 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(CCOc2ccccc2)o1.
What is the InChIKey of 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is SXKXXUKXIPHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-11(14)13-16-15-12(18-13)8-9-17-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3.
What are the key properties of 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62857431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).