N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine

C24H19N5O — CID 53008661

IUPACN-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESCC(Nc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H19N5O/c1-16(17-10-4-2-5-11-17)25-21-19-14-8-9-15-20(19)26-22(27-21)24-29-28-23(30-24)18-12-6-3-7-13-18/h2-16H,1H3,(H,25,26,27)
InChIKeyXDAZPOKPCHHDBT-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.52
Rot. Bonds5

About N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine

N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (PubChem CID 53008661) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
PubChem CID53008661
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC NameN-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESCC(Nc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H19N5O/c1-16(17-10-4-2-5-11-17)25-21-19-14-8-9-15-20(19)26-22(27-21)24-29-28-23(30-24)18-12-6-3-7-13-18/h2-16H,1H3,(H,25,26,27)
InChIKeyXDAZPOKPCHHDBT-UHFFFAOYSA-N
XLogP5.52
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53030111
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine
CID 97257154
2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53012982
(2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 93076551
N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012925
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53013006
2-N,2-N-diethyl-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729230
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012207

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (CID 53008661) is N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is CC(Nc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The InChIKey is XDAZPOKPCHHDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-16(17-10-4-2-5-11-17)25-21-19-14-8-9-15-20(19)26-22(27-21)24-29-28-23(30-24)18-12-6-3-7-13-18/h2-16H,1H3,(H,25,26,27).
What are the key properties of N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine has a molecular weight of 393.45 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 53008661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).