2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine

C12H14ClN3O2 — CID 114321504

IUPAC2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1nc(COc2cccc(Cl)c2CCN)no1
InChIInChI=1S/C12H14ClN3O2/c1-8-15-12(16-18-8)7-17-11-4-2-3-10(13)9(11)5-6-14/h2-4H,5-7,14H2,1H3
InChIKeyZOXKBTLVXMMBIB-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine

2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 114321504) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID114321504
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1nc(COc2cccc(Cl)c2CCN)no1
InChIInChI=1S/C12H14ClN3O2/c1-8-15-12(16-18-8)7-17-11-4-2-3-10(13)9(11)5-6-14/h2-4H,5-7,14H2,1H3
InChIKeyZOXKBTLVXMMBIB-UHFFFAOYSA-N
XLogP2.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320143
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169644
2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 114321413
2-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
2-[3,5-dibromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739575
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (CID 114321504) is 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is Cc1nc(COc2cccc(Cl)c2CCN)no1.
What is the InChIKey of 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is ZOXKBTLVXMMBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8-15-12(16-18-8)7-17-11-4-2-3-10(13)9(11)5-6-14/h2-4H,5-7,14H2,1H3.
What are the key properties of 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 267.72 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 114321504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).