4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C11H7ClFN5O2 — CID 63024030

IUPAC4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(Cc2c(F)cccc2Cl)no1
InChIInChI=1S/C11H7ClFN5O2/c12-6-2-1-3-7(13)5(6)4-8-15-11(19-16-8)9-10(14)18-20-17-9/h1-3H,4H2,(H2,14,18)
InChIKeyVGADNBUNXQRXSN-UHFFFAOYSA-N
MW295.66 g/mol
LogP2.09
Rot. Bonds3

About 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 63024030) has the molecular formula C11H7ClFN5O2 and a molecular weight of 295.66 g/mol. Its IUPAC name is 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID63024030
Molecular FormulaC11H7ClFN5O2
Molecular Weight295.66 g/mol
Exact Mass295.03
IUPAC Name4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(Cc2c(F)cccc2Cl)no1
InChIInChI=1S/C11H7ClFN5O2/c12-6-2-1-3-7(13)5(6)4-8-15-11(19-16-8)9-10(14)18-20-17-9/h1-3H,4H2,(H2,14,18)
InChIKeyVGADNBUNXQRXSN-UHFFFAOYSA-N
XLogP2.09
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 63024030) is 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(Cc2c(F)cccc2Cl)no1.
What is the InChIKey of 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is VGADNBUNXQRXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5O2/c12-6-2-1-3-7(13)5(6)4-8-15-11(19-16-8)9-10(14)18-20-17-9/h1-3H,4H2,(H2,14,18).
What are the key properties of 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 295.66 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 63024030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).