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

C16H23N3O2 — CID 62138928

IUPAC3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C16H23N3O2/c1-13(2)17-11-6-9-15-18-19-16(21-15)10-12-20-14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyCJLUTNCDPYYRMP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds9

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

3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 62138928) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID62138928
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C16H23N3O2/c1-13(2)17-11-6-9-15-18-19-16(21-15)10-12-20-14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyCJLUTNCDPYYRMP-UHFFFAOYSA-N
XLogP2.62
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163061
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
3-[5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62879543
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857431
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619546
6-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748672

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 62138928) is 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nnc(CCOc2ccccc2)o1.
What is the InChIKey of 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is CJLUTNCDPYYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)17-11-6-9-15-18-19-16(21-15)10-12-20-14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3.
What are the key properties of 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62138928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).