methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate

C14H11N3O4S — CID 2200375

IUPACmethyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2nnc(-c3ccncc3)o2)o1
InChIInChI=1S/C14H11N3O4S/c1-19-13(18)11-3-2-10(20-11)8-22-14-17-16-12(21-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3
InChIKeyAVMFKGTWWBWZLN-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.80
Rot. Bonds5

About methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate

methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 2200375) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID2200375
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Namemethyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2nnc(-c3ccncc3)o2)o1
InChIInChI=1S/C14H11N3O4S/c1-19-13(18)11-3-2-10(20-11)8-22-14-17-16-12(21-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3
InChIKeyAVMFKGTWWBWZLN-UHFFFAOYSA-N
XLogP2.80
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-pyridine
CID 3186457
(5-Pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid phenyl ester
CID 645267
1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 851252
Methyl 5-(((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)methyl)furan-2-carboxylate
CID 1208234
2-({[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine
CID 24323625
2-(Furan-2-yl)-5-((pyridin-3-ylmethyl)thio)-1,3,4-oxadiazole
CID 24323626
2-[5-[(2,4-Difluorophenoxy)methyl]furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 19552534
[5-(Methoxycarbonyl)furan-2-yl]methyl 2-fluoropyridine-4-carboxylate
CID 86776956
4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-methoxybenzoate
CID 1983511
(5-Methoxycarbonylfuran-2-yl)methyl pyridine-4-carboxylate
CID 2452434
2-(Furan-2-yl)-5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazole
CID 45850644
Ethyl 2-[4-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenoxy]acetate
CID 117637168

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate (CID 2200375) is methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate is COC(=O)c1ccc(CSc2nnc(-c3ccncc3)o2)o1.
What is the InChIKey of methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is AVMFKGTWWBWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c1-19-13(18)11-3-2-10(20-11)8-22-14-17-16-12(21-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3.
What are the key properties of methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 317.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 2200375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).