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

C23H16FN5O — CID 53008667

IUPACN-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESFc1ccccc1CNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc12
InChIInChI=1S/C23H16FN5O/c24-18-12-6-4-10-16(18)14-25-20-17-11-5-7-13-19(17)26-21(27-20)23-29-28-22(30-23)15-8-2-1-3-9-15/h1-13H,14H2,(H,25,26,27)
InChIKeyXOMJXSMZVWIOFH-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.10
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (PubChem CID 53008667) has the molecular formula C23H16FN5O and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
PubChem CID53008667
Molecular FormulaC23H16FN5O
Molecular Weight397.41 g/mol
Exact Mass397.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESFc1ccccc1CNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc12
InChIInChI=1S/C23H16FN5O/c24-18-12-6-4-10-16(18)14-25-20-17-11-5-7-13-19(17)26-21(27-20)23-29-28-22(30-23)15-8-2-1-3-9-15/h1-13H,14H2,(H,25,26,27)
InChIKeyXOMJXSMZVWIOFH-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-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (CID 53008667) is N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is Fc1ccccc1CNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The InChIKey is XOMJXSMZVWIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O/c24-18-12-6-4-10-16(18)14-25-20-17-11-5-7-13-19(17)26-21(27-20)23-29-28-22(30-23)15-8-2-1-3-9-15/h1-13H,14H2,(H,25,26,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
N-[(2-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-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 53008667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).