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

C15H11ClFN3O — CID 46342081

IUPACN-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H11ClFN3O/c16-11-5-3-4-10(8-11)9-18-15-19-14(20-21-15)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,19,20)
InChIKeyAELAHBCTGUMMTN-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.14
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342081) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342081
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H11ClFN3O/c16-11-5-3-4-10(8-11)9-18-15-19-14(20-21-15)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,19,20)
InChIKeyAELAHBCTGUMMTN-UHFFFAOYSA-N
XLogP4.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 46342081) is N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is Fc1ccccc1-c1noc(NCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is AELAHBCTGUMMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-11-5-3-4-10(8-11)9-18-15-19-14(20-21-15)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 303.72 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).