1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C10H9ClIN3O — CID 103211960

IUPAC1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccc(I)c(Cl)c2)o1
InChIInChI=1S/C10H9ClIN3O/c1-13-5-9-14-15-10(16-9)6-2-3-8(12)7(11)4-6/h2-4,13H,5H2,1H3
InChIKeyHCVZXPKANTVHEG-UHFFFAOYSA-N
MW349.56 g/mol
LogP2.71
Rot. Bonds3

About 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 103211960) has the molecular formula C10H9ClIN3O and a molecular weight of 349.56 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID103211960
Molecular FormulaC10H9ClIN3O
Molecular Weight349.56 g/mol
Exact Mass348.95
IUPAC Name1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccc(I)c(Cl)c2)o1
InChIInChI=1S/C10H9ClIN3O/c1-13-5-9-14-15-10(16-9)6-2-3-8(12)7(11)4-6/h2-4,13H,5H2,1H3
InChIKeyHCVZXPKANTVHEG-UHFFFAOYSA-N
XLogP2.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841
3-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103211985
4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62138664
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 81284962
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106689586
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103212040
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 80641183
1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62137362
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
N-[[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138872

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 103211960) is 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2ccc(I)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is HCVZXPKANTVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3O/c1-13-5-9-14-15-10(16-9)6-2-3-8(12)7(11)4-6/h2-4,13H,5H2,1H3.
What are the key properties of 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 349.56 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103211960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).