1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate

C19H14ClN3O4 — CID 55547075

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OC(C)c2nc(-c3cccnc3)no2)oc2c(Cl)cccc12
InChIInChI=1S/C19H14ClN3O4/c1-10-13-6-3-7-14(20)16(13)26-15(10)19(24)25-11(2)18-22-17(23-27-18)12-5-4-8-21-9-12/h3-9,11H,1-2H3
InChIKeyRUTWSNHUWTUMTI-UHFFFAOYSA-N
MW383.79 g/mol
LogP4.76
Rot. Bonds4

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 55547075) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID55547075
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OC(C)c2nc(-c3cccnc3)no2)oc2c(Cl)cccc12
InChIInChI=1S/C19H14ClN3O4/c1-10-13-6-3-7-14(20)16(13)26-15(10)19(24)25-11(2)18-22-17(23-27-18)12-5-4-8-21-9-12/h3-9,11H,1-2H3
InChIKeyRUTWSNHUWTUMTI-UHFFFAOYSA-N
XLogP4.76
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
CID 46544316
[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2-hydroxy-5-methylbenzoate
CID 52562250
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-bromophenyl)acetate
CID 46548702
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
CID 46688253
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2,4-dichlorophenyl)acetate
CID 55547011
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55528627
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-chloro-2-nitrobenzoate
CID 46526124
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55562582
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 55563235
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 55546414

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate (CID 55547075) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OC(C)c2nc(-c3cccnc3)no2)oc2c(Cl)cccc12.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is RUTWSNHUWTUMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c1-10-13-6-3-7-14(20)16(13)26-15(10)19(24)25-11(2)18-22-17(23-27-18)12-5-4-8-21-9-12/h3-9,11H,1-2H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 383.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 55547075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).