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

C10H8Cl3N3O — CID 106959162

IUPAC5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C10H8Cl3N3O/c11-5-4-8-15-16-10(17-8)14-7-3-1-2-6(12)9(7)13/h1-3H,4-5H2,(H,14,16)
InChIKeyRVPONOMVTBBFQH-UHFFFAOYSA-N
MW292.55 g/mol
LogP3.90
Rot. Bonds4

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

5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959162) has the molecular formula C10H8Cl3N3O and a molecular weight of 292.55 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959162
Molecular FormulaC10H8Cl3N3O
Molecular Weight292.55 g/mol
Exact Mass290.97
IUPAC Name5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C10H8Cl3N3O/c11-5-4-8-15-16-10(17-8)14-7-3-1-2-6(12)9(7)13/h1-3H,4-5H2,(H,14,16)
InChIKeyRVPONOMVTBBFQH-UHFFFAOYSA-N
XLogP3.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956442
N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967190
5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106959118
N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956430
N-(2-bromo-3-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958287
N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956559
N-(5-bromo-2-fluorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956705
5-(2-chloroethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106957638
N-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106956428
5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106969727
4-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]benzoic acid
CID 110456314
5-(chloromethyl)-N-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106958967

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine (CID 106959162) is 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine is ClCCc1nnc(Nc2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RVPONOMVTBBFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O/c11-5-4-8-15-16-10(17-8)14-7-3-1-2-6(12)9(7)13/h1-3H,4-5H2,(H,14,16).
What are the key properties of 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 292.55 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).