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

C22H18FN3O5 — CID 46350385

IUPAC[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate
SMILESCc1ncc(COC(=O)C(C)C)c2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12
InChIInChI=1S/C22H18FN3O5/c1-11(2)21(27)29-10-13-9-24-12(3)18-15(13)8-16(22(28)30-18)20-25-19(26-31-20)14-6-4-5-7-17(14)23/h4-9,11H,10H2,1-3H3
InChIKeyIAJPJVYRVHZQIY-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.05
Rot. Bonds5

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

[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate (PubChem CID 46350385) has the molecular formula C22H18FN3O5 and a molecular weight of 423.40 g/mol. Its IUPAC name is [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate
PubChem CID46350385
Molecular FormulaC22H18FN3O5
Molecular Weight423.40 g/mol
Exact Mass423.12
IUPAC Name[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate
SMILESCc1ncc(COC(=O)C(C)C)c2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12
InChIInChI=1S/C22H18FN3O5/c1-11(2)21(27)29-10-13-9-24-12(3)18-15(13)8-16(22(28)30-18)20-25-19(26-31-20)14-6-4-5-7-17(14)23/h4-9,11H,10H2,1-3H3
InChIKeyIAJPJVYRVHZQIY-UHFFFAOYSA-N
XLogP4.05
TPSA108.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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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-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate
CID 22424590
2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 50755911
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62715597
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxychromen-2-one
CID 20904234
5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine
CID 46908340
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-8-phenylmethoxychromen-2-one
CID 22424784
5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 100688965
2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715086
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate?
The IUPAC name of [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) is [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate?
The canonical SMILES for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate is Cc1ncc(COC(=O)C(C)C)c2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12.
What is the InChIKey of [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate?
The InChIKey is IAJPJVYRVHZQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O5/c1-11(2)21(27)29-10-13-9-24-12(3)18-15(13)8-16(22(28)30-18)20-25-19(26-31-20)14-6-4-5-7-17(14)23/h4-9,11H,10H2,1-3H3.
What are the key properties of [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate?
[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate has a molecular weight of 423.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 46350385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).