(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C20H16N4O4 — CID 135415455

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16N4O4/c25-18(11-10-16-21-15-9-5-4-8-14(15)19(26)22-16)27-12-17-23-24-20(28-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22,26)
InChIKeyZSEXLHYPCLHPLO-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.65
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135415455) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135415455
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16N4O4/c25-18(11-10-16-21-15-9-5-4-8-14(15)19(26)22-16)27-12-17-23-24-20(28-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22,26)
InChIKeyZSEXLHYPCLHPLO-UHFFFAOYSA-N
XLogP2.65
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135415455) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is ZSEXLHYPCLHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-18(11-10-16-21-15-9-5-4-8-14(15)19(26)22-16)27-12-17-23-24-20(28-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22,26).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 376.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135415455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).