[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate

C23H21N3O6 — CID 22424590

IUPAC[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate
SMILESCCCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(OC)cc4)no3)cc12
InChIInChI=1S/C23H21N3O6/c1-4-5-19(27)30-12-15-11-24-13(2)20-17(15)10-18(23(28)31-20)22-25-21(26-32-22)14-6-8-16(29-3)9-7-14/h6-11H,4-5,12H2,1-3H3
InChIKeyATNNIIOEQPWUMD-UHFFFAOYSA-N
MW435.44 g/mol
LogP4.07
Rot. Bonds7

About [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate

[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate (PubChem CID 22424590) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate.

Molecular Properties

Compound Name[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate
PubChem CID22424590
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Name[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate
SMILESCCCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(OC)cc4)no3)cc12
InChIInChI=1S/C23H21N3O6/c1-4-5-19(27)30-12-15-11-24-13(2)20-17(15)10-18(23(28)31-20)22-25-21(26-32-22)14-6-8-16(29-3)9-7-14/h6-11H,4-5,12H2,1-3H3
InChIKeyATNNIIOEQPWUMD-UHFFFAOYSA-N
XLogP4.07
TPSA117.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate
CID 22575500
[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 22424675
[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate
CID 46350385
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
7-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 22423891
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 34740429
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxychromen-2-one
CID 20904206
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617032
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-8-phenylmethoxychromen-2-one
CID 22424784
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-quinolin-2-ylpropanoate
CID 31648017
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate?
The IUPAC name of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate (CID 22424590) is [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate.
What is the SMILES notation for [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate?
The canonical SMILES for [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate is CCCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(OC)cc4)no3)cc12.
What is the InChIKey of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate?
The InChIKey is ATNNIIOEQPWUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-4-5-19(27)30-12-15-11-24-13(2)20-17(15)10-18(23(28)31-20)22-25-21(26-32-22)14-6-8-16(29-3)9-7-14/h6-11H,4-5,12H2,1-3H3.
What are the key properties of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate?
[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate has a molecular weight of 435.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate is sourced from PubChem (CID 22424590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).