1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C12H14ClN3O2 — CID 62229658

IUPAC1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C12H14ClN3O2/c1-8(14-2)12-16-15-11(18-12)7-17-10-5-3-4-9(13)6-10/h3-6,8,14H,7H2,1-2H3
InChIKeyUJWMEHILXIKJLY-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.58
Rot. Bonds5

About 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine

1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62229658) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62229658
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C12H14ClN3O2/c1-8(14-2)12-16-15-11(18-12)7-17-10-5-3-4-9(13)6-10/h3-6,8,14H,7H2,1-2H3
InChIKeyUJWMEHILXIKJLY-UHFFFAOYSA-N
XLogP2.58
TPSA60.18 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62229477
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
2-[(2-bromo-4-chlorophenoxy)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 71880151
(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7611624
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62229658) is 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is UJWMEHILXIKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8(14-2)12-16-15-11(18-12)7-17-10-5-3-4-9(13)6-10/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 267.72 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62229658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).