1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C11H11Cl2N3O — CID 54903708

IUPAC1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H11Cl2N3O/c1-7-15-10(17-16-7)6-14-5-8-3-2-4-9(12)11(8)13/h2-4,14H,5-6H2,1H3
InChIKeySYMWANLWXIQWGW-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.97
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 54903708) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID54903708
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H11Cl2N3O/c1-7-15-10(17-16-7)6-14-5-8-3-2-4-9(12)11(8)13/h2-4,14H,5-6H2,1H3
InChIKeySYMWANLWXIQWGW-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine 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-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016
1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893857
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61014211
1-[(2-chlorophenyl)methoxy]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014471
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
CID 80648714
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
CID 102537319
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
1-(2-methoxy-5-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903130
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 54903708) is 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is Cc1noc(CNCc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is SYMWANLWXIQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-7-15-10(17-16-7)6-14-5-8-3-2-4-9(12)11(8)13/h2-4,14H,5-6H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 272.13 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 54903708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).