N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

C12H14ClFN4O — CID 107532097

IUPACN-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2cc(F)ccc2Cl)o1
InChIInChI=1S/C12H14ClFN4O/c1-3-15-7(2)11-17-18-12(19-11)16-10-6-8(14)4-5-9(10)13/h4-7,15H,3H2,1-2H3,(H,16,18)
InChIKeyLPSKIKAZFVKBKM-UHFFFAOYSA-N
MW284.72 g/mol
LogP3.28
Rot. Bonds5

About N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 107532097) has the molecular formula C12H14ClFN4O and a molecular weight of 284.72 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID107532097
Molecular FormulaC12H14ClFN4O
Molecular Weight284.72 g/mol
Exact Mass284.08
IUPAC NameN-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2cc(F)ccc2Cl)o1
InChIInChI=1S/C12H14ClFN4O/c1-3-15-7(2)11-17-18-12(19-11)16-10-6-8(14)4-5-9(10)13/h4-7,15H,3H2,1-2H3,(H,16,18)
InChIKeyLPSKIKAZFVKBKM-UHFFFAOYSA-N
XLogP3.28
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 107532097) is N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(Nc2cc(F)ccc2Cl)o1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LPSKIKAZFVKBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4O/c1-3-15-7(2)11-17-18-12(19-11)16-10-6-8(14)4-5-9(10)13/h4-7,15H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 284.72 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107532097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).