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

C12H15N3O2 — CID 78936718

IUPAC(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1nnc(COc2ccccc2[C@H](C)N)o1
InChIInChI=1S/C12H15N3O2/c1-8(13)10-5-3-4-6-11(10)16-7-12-15-14-9(2)17-12/h3-6,8H,7,13H2,1-2H3/t8-/m0/s1
InChIKeyPXLORNGVWRSKQF-QMMMGPOBSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds4

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

(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 78936718) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID78936718
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1nnc(COc2ccccc2[C@H](C)N)o1
InChIInChI=1S/C12H15N3O2/c1-8(13)10-5-3-4-6-11(10)16-7-12-15-14-9(2)17-12/h3-6,8H,7,13H2,1-2H3/t8-/m0/s1
InChIKeyPXLORNGVWRSKQF-QMMMGPOBSA-N
XLogP1.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60878650
(1R)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936260
N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60882662
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503948
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782324
2-(2-chloroethyl)-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 39380749
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S)-1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 78931134
1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60879008
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 54929392
1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 60908029

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (CID 78936718) is (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is Cc1nnc(COc2ccccc2[C@H](C)N)o1.
What is the InChIKey of (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is PXLORNGVWRSKQF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(13)10-5-3-4-6-11(10)16-7-12-15-14-9(2)17-12/h3-6,8H,7,13H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78936718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).