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

C23H15ClFN5O — CID 53090551

IUPAC2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccccc1CNc1nc(-c2nnc(-c3cccc(Cl)c3)o2)nc2ccccc12
InChIInChI=1S/C23H15ClFN5O/c24-16-8-5-7-14(12-16)22-29-30-23(31-22)21-27-19-11-4-2-9-17(19)20(28-21)26-13-15-6-1-3-10-18(15)25/h1-12H,13H2,(H,26,27,28)
InChIKeyVJBXBKQQPCXODR-UHFFFAOYSA-N
MW431.86 g/mol
LogP5.75
Rot. Bonds5

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

2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine (PubChem CID 53090551) has the molecular formula C23H15ClFN5O and a molecular weight of 431.86 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine
PubChem CID53090551
Molecular FormulaC23H15ClFN5O
Molecular Weight431.86 g/mol
Exact Mass431.09
IUPAC Name2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccccc1CNc1nc(-c2nnc(-c3cccc(Cl)c3)o2)nc2ccccc12
InChIInChI=1S/C23H15ClFN5O/c24-16-8-5-7-14(12-16)22-29-30-23(31-22)21-27-19-11-4-2-9-17(19)20(28-21)26-13-15-6-1-3-10-18(15)25/h1-12H,13H2,(H,26,27,28)
InChIKeyVJBXBKQQPCXODR-UHFFFAOYSA-N
XLogP5.75
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.86
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine (CID 53090551) is 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine is Fc1ccccc1CNc1nc(-c2nnc(-c3cccc(Cl)c3)o2)nc2ccccc12.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine?
The InChIKey is VJBXBKQQPCXODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5O/c24-16-8-5-7-14(12-16)22-29-30-23(31-22)21-27-19-11-4-2-9-17(19)20(28-21)26-13-15-6-1-3-10-18(15)25/h1-12H,13H2,(H,26,27,28).
What are the key properties of 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine?
2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine has a molecular weight of 431.86 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 53090551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).