(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

C14H19N3O2 — CID 118879260

IUPAC(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOCCc1noc([C@H](N)CCc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-18-10-9-13-16-14(19-17-13)12(15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3/t12-/m1/s1
InChIKeyDZKYIKMLIXIUAK-GFCCVEGCSA-N
MW261.32 g/mol
LogP1.89
Rot. Bonds7

About (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 118879260) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
PubChem CID118879260
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOCCc1noc([C@H](N)CCc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-18-10-9-13-16-14(19-17-13)12(15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3/t12-/m1/s1
InChIKeyDZKYIKMLIXIUAK-GFCCVEGCSA-N
XLogP1.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 102926580
(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
1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478080
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
(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 104983509
(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983451
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62478427
1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43470343

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (CID 118879260) is (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is COCCc1noc([C@H](N)CCc2ccccc2)n1.
What is the InChIKey of (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is DZKYIKMLIXIUAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-10-9-13-16-14(19-17-13)12(15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 118879260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).