(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine

C13H17N3O2 — CID 78937299

IUPAC(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCc1nnc(COc2cccc([C@@H](C)N)c2)o1
InChIInChI=1S/C13H17N3O2/c1-3-12-15-16-13(18-12)8-17-11-6-4-5-10(7-11)9(2)14/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1
InChIKeyCVKSTYAPVGZFQO-SECBINFHSA-N
MW247.30 g/mol
LogP2.23
Rot. Bonds5

About (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine

(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 78937299) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID78937299
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCc1nnc(COc2cccc([C@@H](C)N)c2)o1
InChIInChI=1S/C13H17N3O2/c1-3-12-15-16-13(18-12)8-17-11-6-4-5-10(7-11)9(2)14/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1
InChIKeyCVKSTYAPVGZFQO-SECBINFHSA-N
XLogP2.23
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 55190446
N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63055724
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503683
N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60887619
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870530
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (CID 78937299) is (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is CCc1nnc(COc2cccc([C@@H](C)N)c2)o1.
What is the InChIKey of (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is CVKSTYAPVGZFQO-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-12-15-16-13(18-12)8-17-11-6-4-5-10(7-11)9(2)14/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78937299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).