3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C33H25N5O3 — CID 90874526

IUPAC3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C(N2C(=O)OCC2c2ccccc2)C(C=Cc2cccnc2)N1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C33H25N5O3/c39-32-29(37-28(21-41-33(37)40)23-11-3-1-4-12-23)27(18-17-22-10-9-19-34-20-22)38(32)31-25-15-7-8-16-26(25)35-30(36-31)24-13-5-2-6-14-24/h1-20,27-29H,21H2
InChIKeyPTUMNQRJTGAUPE-UHFFFAOYSA-N
MW539.60 g/mol
LogP5.68
Rot. Bonds6

About 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 90874526) has the molecular formula C33H25N5O3 and a molecular weight of 539.60 g/mol. Its IUPAC name is 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID90874526
Molecular FormulaC33H25N5O3
Molecular Weight539.60 g/mol
Exact Mass539.20
IUPAC Name3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C(N2C(=O)OCC2c2ccccc2)C(C=Cc2cccnc2)N1c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C33H25N5O3/c39-32-29(37-28(21-41-33(37)40)23-11-3-1-4-12-23)27(18-17-22-10-9-19-34-20-22)38(32)31-25-15-7-8-16-26(25)35-30(36-31)24-13-5-2-6-14-24/h1-20,27-29H,21H2
InChIKeyPTUMNQRJTGAUPE-UHFFFAOYSA-N
XLogP5.68
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 90874526) is 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1C(N2C(=O)OCC2c2ccccc2)C(C=Cc2cccnc2)N1c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PTUMNQRJTGAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O3/c39-32-29(37-28(21-41-33(37)40)23-11-3-1-4-12-23)27(18-17-22-10-9-19-34-20-22)38(32)31-25-15-7-8-16-26(25)35-30(36-31)24-13-5-2-6-14-24/h1-20,27-29H,21H2.
What are the key properties of 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 539.60 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-1-(2-phenylquinazolin-4-yl)-4-(2-pyridin-3-ylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90874526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).