N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine

C16H23N3O2 — CID 110653522

IUPACN-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnc(COc2ccccc2)o1
InChIInChI=1S/C16H23N3O2/c1-3-10-19(11-4-2)12-15-17-18-16(21-15)13-20-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyWTKXZCRKWHGXOB-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.27
Rot. Bonds9

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

N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine (PubChem CID 110653522) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
PubChem CID110653522
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnc(COc2ccccc2)o1
InChIInChI=1S/C16H23N3O2/c1-3-10-19(11-4-2)12-15-17-18-16(21-15)13-20-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyWTKXZCRKWHGXOB-UHFFFAOYSA-N
XLogP3.27
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
CID 110653589
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62854904
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine
CID 110651557
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110653439
2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656615
2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656609
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
CID 15954166
2-(phenoxymethyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 5019266
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023

Frequently Asked Questions

What is the IUPAC name of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine (CID 110653522) is N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1nnc(COc2ccccc2)o1.
What is the InChIKey of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is WTKXZCRKWHGXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-10-19(11-4-2)12-15-17-18-16(21-15)13-20-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 110653522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).