1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

C11H12ClN3O2 — CID 62075077

IUPAC1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1ncon1
InChIInChI=1S/C11H12ClN3O2/c1-7(13)9-4-8(12)2-3-10(9)16-5-11-14-6-17-15-11/h2-4,6-7H,5,13H2,1H3
InChIKeyFCIMPONVTWHFTB-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.32
Rot. Bonds4

About 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (PubChem CID 62075077) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
PubChem CID62075077
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1ncon1
InChIInChI=1S/C11H12ClN3O2/c1-7(13)9-4-8(12)2-3-10(9)16-5-11-14-6-17-15-11/h2-4,6-7H,5,13H2,1H3
InChIKeyFCIMPONVTWHFTB-UHFFFAOYSA-N
XLogP2.32
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 78936809
1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60879008
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 62074736
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
CID 82914595
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (CID 62075077) is 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is CC(N)c1cc(Cl)ccc1OCc1ncon1.
What is the InChIKey of 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is FCIMPONVTWHFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7(13)9-4-8(12)2-3-10(9)16-5-11-14-6-17-15-11/h2-4,6-7H,5,13H2,1H3.
What are the key properties of 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 253.69 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 62075077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).