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

C22H20N4O5 — CID 55424398

IUPAC[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCOc1cccc(-c2noc(COC(=O)CCc3nc4ccccc4c(=O)n3C)n2)c1
InChIInChI=1S/C22H20N4O5/c1-26-18(23-17-9-4-3-8-16(17)22(26)28)10-11-20(27)30-13-19-24-21(25-31-19)14-6-5-7-15(12-14)29-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyRHFBNTQCQVZPBM-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.67
Rot. Bonds7

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

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (PubChem CID 55424398) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
PubChem CID55424398
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCOc1cccc(-c2noc(COC(=O)CCc3nc4ccccc4c(=O)n3C)n2)c1
InChIInChI=1S/C22H20N4O5/c1-26-18(23-17-9-4-3-8-16(17)22(26)28)10-11-20(27)30-13-19-24-21(25-31-19)14-6-5-7-15(12-14)29-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyRHFBNTQCQVZPBM-UHFFFAOYSA-N
XLogP2.67
TPSA109.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.67
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-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831612
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 7994878
6-[2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-oxoquinazolin-3-yl]hexanamide
CID 55473319
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46626983
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933838
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55316530
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one
CID 32546821
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8550796
pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43021661
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933703
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-quinolin-2-ylpropanoate
CID 31648017

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (CID 55424398) is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The canonical SMILES for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is COc1cccc(-c2noc(COC(=O)CCc3nc4ccccc4c(=O)n3C)n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The InChIKey is RHFBNTQCQVZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-26-18(23-17-9-4-3-8-16(17)22(26)28)10-11-20(27)30-13-19-24-21(25-31-19)14-6-5-7-15(12-14)29-2/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate has a molecular weight of 420.43 g/mol, XLogP of 2.67, 7 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 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is sourced from PubChem (CID 55424398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).