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

C12H15N3O2 — CID 62854904

IUPAC1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(COc2ccccc2)o1
InChIInChI=1S/C12H15N3O2/c1-2-10(13)12-15-14-11(17-12)8-16-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3
InChIKeyUQOVGTTUFIXMCE-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.06
Rot. Bonds5

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

1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62854904) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62854904
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(COc2ccccc2)o1
InChIInChI=1S/C12H15N3O2/c1-2-10(13)12-15-14-11(17-12)8-16-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3
InChIKeyUQOVGTTUFIXMCE-UHFFFAOYSA-N
XLogP2.06
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.06
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
1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 103212032
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
CID 110653522
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60878650
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
1-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857911
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656609

Frequently Asked Questions

What is the IUPAC name of 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62854904) is 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(COc2ccccc2)o1.
What is the InChIKey of 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is UQOVGTTUFIXMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-10(13)12-15-14-11(17-12)8-16-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3.
What are the key properties of 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62854904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).