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

C20H16N4O5 — CID 7994878

IUPAC[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1cccc(-c2noc(COC(=O)Cn3cnc4ccccc4c3=O)n2)c1
InChIInChI=1S/C20H16N4O5/c1-27-14-6-4-5-13(9-14)19-22-17(29-23-19)11-28-18(25)10-24-12-21-16-8-3-2-7-15(16)20(24)26/h2-9,12H,10-11H2,1H3
InChIKeyNQNKYOSDEGINNG-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.20
Rot. Bonds6

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

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7994878) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7994878
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1cccc(-c2noc(COC(=O)Cn3cnc4ccccc4c3=O)n2)c1
InChIInChI=1S/C20H16N4O5/c1-27-14-6-4-5-13(9-14)19-22-17(29-23-19)11-28-18(25)10-24-12-21-16-8-3-2-7-15(16)20(24)26/h2-9,12H,10-11H2,1H3
InChIKeyNQNKYOSDEGINNG-UHFFFAOYSA-N
XLogP2.20
TPSA109.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424398
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831612
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8550796
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55316530
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405582
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one
CID 32546821
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 32611315
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 55443704
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 55386325
6-[2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-oxoquinazolin-3-yl]hexanamide
CID 55473319
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxo-1-pyridinyl)acetate
CID 9458063
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 7994878) is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is COc1cccc(-c2noc(COC(=O)Cn3cnc4ccccc4c3=O)n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is NQNKYOSDEGINNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-27-14-6-4-5-13(9-14)19-22-17(29-23-19)11-28-18(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 [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 392.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7994878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).