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

C15H21N3O2 — CID 114917967

IUPAC3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCOCc1noc(C(N)CCc2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-2-10-19-11-14-17-15(20-18-14)13(16)9-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3
InChIKeyCPBGERMMCISXQA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.63
Rot. Bonds8

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

3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 114917967) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID114917967
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCOCc1noc(C(N)CCc2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-2-10-19-11-14-17-15(20-18-14)13(16)9-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3
InChIKeyCPBGERMMCISXQA-UHFFFAOYSA-N
XLogP2.63
TPSA74.17 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 ≤ 52.63
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

(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918109
(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983451
1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43470343
5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 114918225
(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915658
2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 61385059
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 102926580
cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62696516
(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 104983509

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 114917967) is 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCCOCc1noc(C(N)CCc2ccccc2)n1.
What is the InChIKey of 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is CPBGERMMCISXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-10-19-11-14-17-15(20-18-14)13(16)9-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3.
What are the key properties of 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 114917967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).