3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C11H11ClFN3O — CID 63087025

IUPAC3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C11H11ClFN3O/c1-6(2)14-11-15-10(16-17-11)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,15,16)
InChIKeyDHMNAPKNIWVODR-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.35
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 63087025) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID63087025
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C11H11ClFN3O/c1-6(2)14-11-15-10(16-17-11)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,15,16)
InChIKeyDHMNAPKNIWVODR-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 63087025) is 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)Nc1nc(-c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is DHMNAPKNIWVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6(2)14-11-15-10(16-17-11)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 255.68 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63087025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).