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

C23H16FN5O — CID 53008669

IUPACN-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESFc1cccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)c1
InChIInChI=1S/C23H16FN5O/c24-17-10-6-7-15(13-17)14-25-20-18-11-4-5-12-19(18)26-21(27-20)23-29-28-22(30-23)16-8-2-1-3-9-16/h1-13H,14H2,(H,25,26,27)
InChIKeyMLBCKPUJEQHVAF-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.10
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (PubChem CID 53008669) has the molecular formula C23H16FN5O and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
PubChem CID53008669
Molecular FormulaC23H16FN5O
Molecular Weight397.41 g/mol
Exact Mass397.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESFc1cccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)c1
InChIInChI=1S/C23H16FN5O/c24-17-10-6-7-15(13-17)14-25-20-18-11-4-5-12-19(18)26-21(27-20)23-29-28-22(30-23)16-8-2-1-3-9-16/h1-13H,14H2,(H,25,26,27)
InChIKeyMLBCKPUJEQHVAF-UHFFFAOYSA-N
XLogP5.10
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (CID 53008669) is N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is Fc1cccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The InChIKey is MLBCKPUJEQHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O/c24-17-10-6-7-15(13-17)14-25-20-18-11-4-5-12-19(18)26-21(27-20)23-29-28-22(30-23)16-8-2-1-3-9-16/h1-13H,14H2,(H,25,26,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine has a molecular weight of 397.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 53008669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).