5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine

C10H8Cl2IN3O — CID 107605220

IUPAC5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(Nc2ccc(I)cc2Cl)o1
InChIInChI=1S/C10H8Cl2IN3O/c1-5(11)9-15-16-10(17-9)14-8-3-2-6(13)4-7(8)12/h2-5H,1H3,(H,14,16)
InChIKeySYDYJSBKIQWOJG-UHFFFAOYSA-N
MW384.00 g/mol
LogP4.37
Rot. Bonds3

About 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine

5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107605220) has the molecular formula C10H8Cl2IN3O and a molecular weight of 384.00 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID107605220
Molecular FormulaC10H8Cl2IN3O
Molecular Weight384.00 g/mol
Exact Mass382.91
IUPAC Name5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(Nc2ccc(I)cc2Cl)o1
InChIInChI=1S/C10H8Cl2IN3O/c1-5(11)9-15-16-10(17-9)14-8-3-2-6(13)4-7(8)12/h2-5H,1H3,(H,14,16)
InChIKeySYDYJSBKIQWOJG-UHFFFAOYSA-N
XLogP4.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.00
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956558
N-(4-chloro-2,5-dimethoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958974
N-(2-bromo-5-methylphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958341
N-(2,4-dichlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966444
5-(1-chloroethyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106959040
5-(1-chloroethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956850
5-(1-aminoethyl)-N-(4-bromo-2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 107795977
5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106967337
N-(2-bromo-4-chlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963424
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
4-N-(2-chloro-4-iodophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107604821
N-(2-chloro-5-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532092

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine (CID 107605220) is 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(Nc2ccc(I)cc2Cl)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SYDYJSBKIQWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2IN3O/c1-5(11)9-15-16-10(17-9)14-8-3-2-6(13)4-7(8)12/h2-5H,1H3,(H,14,16).
What are the key properties of 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 384.00 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107605220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).