[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate

C20H16N4O4 — CID 9405582

IUPAC[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc(-c2nnc(COC(=O)Cn3cnc4ccccc4c3=O)o2)c1
InChIInChI=1S/C20H16N4O4/c1-13-5-4-6-14(9-13)19-23-22-17(28-19)11-27-18(25)10-24-12-21-16-8-3-2-7-15(16)20(24)26/h2-9,12H,10-11H2,1H3
InChIKeyIVGNBGZYIYAKCW-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.50
Rot. Bonds5

About [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate

[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 9405582) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID9405582
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc(-c2nnc(COC(=O)Cn3cnc4ccccc4c3=O)o2)c1
InChIInChI=1S/C20H16N4O4/c1-13-5-4-6-14(9-13)19-23-22-17(28-19)11-27-18(25)10-24-12-21-16-8-3-2-7-15(16)20(24)26/h2-9,12H,10-11H2,1H3
InChIKeyIVGNBGZYIYAKCW-UHFFFAOYSA-N
XLogP2.50
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 32611315
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-oxo-1-pyridinyl)acetate
CID 8986952
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 9343649
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
(3,4-dimethylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 9097161
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 7995089
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587380
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788533
N-(3-methylphenyl)-N-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]acetamide
CID 5151449
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate
CID 166189516

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 9405582) is [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is Cc1cccc(-c2nnc(COC(=O)Cn3cnc4ccccc4c3=O)o2)c1.
What is the InChIKey of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is IVGNBGZYIYAKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-13-5-4-6-14(9-13)19-23-22-17(28-19)11-27-18(25)10-24-12-21-16-8-3-2-7-15(16)20(24)26/h2-9,12H,10-11H2,1H3.
What are the key properties of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 376.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 9405582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).