(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

C10H10ClN3O — CID 43559229

IUPAC(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H10ClN3O/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3
InChIKeyZSAXBGLRHFBPER-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.08
Rot. Bonds2

About (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559229) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559229
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H10ClN3O/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3
InChIKeyZSAXBGLRHFBPER-UHFFFAOYSA-N
XLogP2.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)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

1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 327070
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperidine
CID 2803673
1-{[3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-2-ethylpiperidine
CID 16190641
3-(4-Chlorophenyl)-5-(1-pyrrolidinylmethyl)-1,2,4-oxadiazole
CID 727946
(2R,6S)-1-{[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-2,6-dimethylpiperidine
CID 16189207
[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 2996883
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-methylpropanamide
CID 4896328
3-(4-Chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CID 51051897
N-(2-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)ethyl)acetamide
CID 4893681
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine
CID 957369
3-(4-Chlorophenyl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 976759

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559229) is (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is Cc1nc(C(N)c2ccc(Cl)cc2)no1.
What is the InChIKey of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is ZSAXBGLRHFBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 223.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).