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

C13H17N3O2 — CID 54978293

IUPAC3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCOCc1noc(CCC(N)c2ccccc2)n1
InChIInChI=1S/C13H17N3O2/c1-17-9-12-15-13(18-16-12)8-7-11(14)10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3
InChIKeyUEBDMAWJVSFAEO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.85
Rot. Bonds6

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

3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (PubChem CID 54978293) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
PubChem CID54978293
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCOCc1noc(CCC(N)c2ccccc2)n1
InChIInChI=1S/C13H17N3O2/c1-17-9-12-15-13(18-16-12)8-7-11(14)10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3
InChIKeyUEBDMAWJVSFAEO-UHFFFAOYSA-N
XLogP1.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 115345379
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 60837559
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79962025
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol
CID 110019524
4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503164
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
3-(4-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 114764850
3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 102696662
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 55137085

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (CID 54978293) is 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is COCc1noc(CCC(N)c2ccccc2)n1.
What is the InChIKey of 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The InChIKey is UEBDMAWJVSFAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-9-12-15-13(18-16-12)8-7-11(14)10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54978293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).