N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine

C18H18ClN3O2 — CID 110456533

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(CCNc2nnc(CCOc3ccccc3)o2)cc1
InChIInChI=1S/C18H18ClN3O2/c19-15-8-6-14(7-9-15)10-12-20-18-22-21-17(24-18)11-13-23-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,22)
InChIKeyRXMUKKWDHHUWQL-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.00
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine

N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456533) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456533
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(CCNc2nnc(CCOc3ccccc3)o2)cc1
InChIInChI=1S/C18H18ClN3O2/c19-15-8-6-14(7-9-15)10-12-20-18-22-21-17(24-18)11-13-23-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,22)
InChIKeyRXMUKKWDHHUWQL-UHFFFAOYSA-N
XLogP4.00
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine (CID 110456533) is N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine is Clc1ccc(CCNc2nnc(CCOc3ccccc3)o2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RXMUKKWDHHUWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-15-8-6-14(7-9-15)10-12-20-18-22-21-17(24-18)11-13-23-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine?
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 343.81 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).