(4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole

C33H23N3O — CID 11059857

IUPAC(4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2nc(-c3c(C4=N[C@@H](c5ccccc5)CO4)ccc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C33H23N3O/c1-3-12-23(13-4-1)29-21-37-33(35-29)27-20-19-22-11-7-8-16-25(22)30(27)31-26-17-9-10-18-28(26)34-32(36-31)24-14-5-2-6-15-24/h1-20,29H,21H2/t29-/m1/s1
InChIKeyLYUDHULUEYBREB-GDLZYMKVSA-N
MW477.57 g/mol
LogP7.64
Rot. Bonds4

About (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 11059857) has the molecular formula C33H23N3O and a molecular weight of 477.57 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID11059857
Molecular FormulaC33H23N3O
Molecular Weight477.57 g/mol
Exact Mass477.18
IUPAC Name(4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2nc(-c3c(C4=N[C@@H](c5ccccc5)CO4)ccc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C33H23N3O/c1-3-12-23(13-4-1)29-21-37-33(35-29)27-20-19-22-11-7-8-16-25(22)30(27)31-26-17-9-10-18-28(26)34-32(36-31)24-14-5-2-6-15-24/h1-20,29H,21H2/t29-/m1/s1
InChIKeyLYUDHULUEYBREB-GDLZYMKVSA-N
XLogP7.64
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (CID 11059857) is (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is c1ccc(-c2nc(-c3c(C4=N[C@@H](c5ccccc5)CO4)ccc4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LYUDHULUEYBREB-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H23N3O/c1-3-12-23(13-4-1)29-21-37-33(35-29)27-20-19-22-11-7-8-16-25(22)30(27)31-26-17-9-10-18-28(26)34-32(36-31)24-14-5-2-6-15-24/h1-20,29H,21H2/t29-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 477.57 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11059857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).