N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C11H11Cl2FN4O — CID 107581548

IUPACN-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2cc(Cl)c(F)c(Cl)c2)o1
InChIInChI=1S/C11H11Cl2FN4O/c1-2-15-5-9-17-18-11(19-9)16-6-3-7(12)10(14)8(13)4-6/h3-4,15H,2,5H2,1H3,(H,16,18)
InChIKeyUIOANEGOVWFTPP-UHFFFAOYSA-N
MW305.14 g/mol
LogP3.37
Rot. Bonds5

About N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107581548) has the molecular formula C11H11Cl2FN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID107581548
Molecular FormulaC11H11Cl2FN4O
Molecular Weight305.14 g/mol
Exact Mass304.03
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2cc(Cl)c(F)c(Cl)c2)o1
InChIInChI=1S/C11H11Cl2FN4O/c1-2-15-5-9-17-18-11(19-9)16-6-3-7(12)10(14)8(13)4-6/h3-4,15H,2,5H2,1H3,(H,16,18)
InChIKeyUIOANEGOVWFTPP-UHFFFAOYSA-N
XLogP3.37
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 107581548) is N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(Nc2cc(Cl)c(F)c(Cl)c2)o1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UIOANEGOVWFTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN4O/c1-2-15-5-9-17-18-11(19-9)16-6-3-7(12)10(14)8(13)4-6/h3-4,15H,2,5H2,1H3,(H,16,18).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 305.14 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107581548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).