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

C16H13ClFN3O — CID 44525599

IUPAC5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccccc1CNc1noc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C16H13ClFN3O/c1-10-5-2-3-6-11(10)9-19-16-20-15(22-21-16)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyQSBDPBDRYJKEIL-UHFFFAOYSA-N
MW317.75 g/mol
LogP4.45
Rot. Bonds4

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

5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 44525599) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID44525599
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccccc1CNc1noc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C16H13ClFN3O/c1-10-5-2-3-6-11(10)9-19-16-20-15(22-21-16)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyQSBDPBDRYJKEIL-UHFFFAOYSA-N
XLogP4.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine (CID 44525599) is 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine is Cc1ccccc1CNc1noc(-c2c(F)cccc2Cl)n1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is QSBDPBDRYJKEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c1-10-5-2-3-6-11(10)9-19-16-20-15(22-21-16)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 317.75 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44525599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).