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

C23H16FN5O — CID 53008665

IUPACN-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESFc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)cc1
InChIInChI=1S/C23H16FN5O/c24-17-12-10-15(11-13-17)14-25-20-18-8-4-5-9-19(18)26-21(27-20)23-29-28-22(30-23)16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26,27)
InChIKeyDCJOYDUAXDLPQF-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.10
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (PubChem CID 53008665) has the molecular formula C23H16FN5O and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
PubChem CID53008665
Molecular FormulaC23H16FN5O
Molecular Weight397.41 g/mol
Exact Mass397.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESFc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)cc1
InChIInChI=1S/C23H16FN5O/c24-17-12-10-15(11-13-17)14-25-20-18-8-4-5-9-19(18)26-21(27-20)23-29-28-22(30-23)16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26,27)
InChIKeyDCJOYDUAXDLPQF-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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Related Compounds

2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 134132656
6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6H-indolo[2,3-b]quinoxaline
CID 2234193
2-(2-Fluorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156016511
2-(4-Fluorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156021508
N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53012931
N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354948
N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008667
2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine
CID 53012983
2-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-YL]-N-[(furan-2-YL)methyl]quinazolin-4-amine
CID 53090513
2-[5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-YL]-N-[(2-fluorophenyl)methyl]quinazolin-4-amine
CID 53090551
2-(4-Fluorophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3,4-oxadiazole
CID 139228834
2-[(9-Fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 139228837

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (CID 53008665) is N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is Fc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The InChIKey is DCJOYDUAXDLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O/c24-17-12-10-15(11-13-17)14-25-20-18-8-4-5-9-19(18)26-21(27-20)23-29-28-22(30-23)16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
N-[(4-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-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 53008665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).