[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C10H10ClN3O — CID 82473258

IUPAC[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccc(-c2noc(CN)n2)cc1Cl
InChIInChI=1S/C10H10ClN3O/c1-6-2-3-7(4-8(6)11)10-13-9(5-12)15-14-10/h2-4H,5,12H2,1H3
InChIKeyKPTRZYJFABQQSA-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.16
Rot. Bonds2

About [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 82473258) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID82473258
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccc(-c2noc(CN)n2)cc1Cl
InChIInChI=1S/C10H10ClN3O/c1-6-2-3-7(4-8(6)11)10-13-9(5-12)15-14-10/h2-4H,5,12H2,1H3
InChIKeyKPTRZYJFABQQSA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
3-(3-chloro-4-methylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole;2-methylpropane
CID 143701901
[3-(6-chloro-2,3-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117348084
[3-(3,4,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309504
[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117411447
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
[3-(2-chloro-3-fluoro-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117356000
[3-(3-chloro-4-cyclopropylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117498901
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81492497

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 82473258) is [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1ccc(-c2noc(CN)n2)cc1Cl.
What is the InChIKey of [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KPTRZYJFABQQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-2-3-7(4-8(6)11)10-13-9(5-12)15-14-10/h2-4H,5,12H2,1H3.
What are the key properties of [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 223.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 82473258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).