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

C10H18ClN3O — CID 106956363

IUPAC5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
SMILESCCCN(CCC)c1nnc(C(C)Cl)o1
InChIInChI=1S/C10H18ClN3O/c1-4-6-14(7-5-2)10-13-12-9(15-10)8(3)11/h8H,4-7H2,1-3H3
InChIKeyWHWLSFVPRWBEIY-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.00
Rot. Bonds6

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

5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine (PubChem CID 106956363) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
PubChem CID106956363
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
SMILESCCCN(CCC)c1nnc(C(C)Cl)o1
InChIInChI=1S/C10H18ClN3O/c1-4-6-14(7-5-2)10-13-12-9(15-10)8(3)11/h8H,4-7H2,1-3H3
InChIKeyWHWLSFVPRWBEIY-UHFFFAOYSA-N
XLogP3.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine (CID 106956363) is 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine is CCCN(CCC)c1nnc(C(C)Cl)o1.
What is the InChIKey of 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine?
The InChIKey is WHWLSFVPRWBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-4-6-14(7-5-2)10-13-12-9(15-10)8(3)11/h8H,4-7H2,1-3H3.
What are the key properties of 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine has a molecular weight of 231.73 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).