5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine

C8H10ClN5O2 — CID 106957280

IUPAC5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1noc(CNc2nnc(CCCl)o2)n1
InChIInChI=1S/C8H10ClN5O2/c1-5-11-7(16-14-5)4-10-8-13-12-6(15-8)2-3-9/h2-4H2,1H3,(H,10,13)
InChIKeyJYKYAURSMURWGQ-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.15
Rot. Bonds5

About 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106957280) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106957280
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC Name5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1noc(CNc2nnc(CCCl)o2)n1
InChIInChI=1S/C8H10ClN5O2/c1-5-11-7(16-14-5)4-10-8-13-12-6(15-8)2-3-9/h2-4H2,1H3,(H,10,13)
InChIKeyJYKYAURSMURWGQ-UHFFFAOYSA-N
XLogP1.15
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425031
5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 106956296
5-(2-chloroethyl)-N-[(2-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957914
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106956708
N-[(4-bromothiophen-2-yl)methyl]-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106957991
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
4-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol
CID 106956869
5-(2-chloroethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106413122
5-[1-(methylamino)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425032
5-(2-chloroethyl)-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106957280) is 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1noc(CNc2nnc(CCCl)o2)n1.
What is the InChIKey of 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JYKYAURSMURWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2/c1-5-11-7(16-14-5)4-10-8-13-12-6(15-8)2-3-9/h2-4H2,1H3,(H,10,13).
What are the key properties of 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 243.65 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).