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

C7H12ClN3O — CID 106956296

IUPAC5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCNc1nnc(CCCl)o1
InChIInChI=1S/C7H12ClN3O/c1-2-5-9-7-11-10-6(12-7)3-4-8/h2-5H2,1H3,(H,9,11)
InChIKeyFOSFTBPMWQHVPB-UHFFFAOYSA-N
MW189.65 g/mol
LogP1.67
Rot. Bonds5

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

5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 106956296) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
PubChem CID106956296
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCNc1nnc(CCCl)o1
InChIInChI=1S/C7H12ClN3O/c1-2-5-9-7-11-10-6(12-7)3-4-8/h2-5H2,1H3,(H,9,11)
InChIKeyFOSFTBPMWQHVPB-UHFFFAOYSA-N
XLogP1.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 51.67
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-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290
N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106956708
5-(2-chloroethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819573
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106958370
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
5-(2-chloroethyl)-N-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106956817
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-(2-chloroethyl)-N-[2-(3,5-difluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957536
5-(2-chloroethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106052181
5-(2-chloroethyl)-N-[(2-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957914
5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957280

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine (CID 106956296) is 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine is CCCNc1nnc(CCCl)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is FOSFTBPMWQHVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O/c1-2-5-9-7-11-10-6(12-7)3-4-8/h2-5H2,1H3,(H,9,11).
What are the key properties of 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 189.65 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).