2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole

C20H13N3O2S — CID 18197019

IUPAC2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCc3nc4ccccc4c4ccccc34)o2)c1
InChIInChI=1S/C20H13N3O2S/c1-2-8-15-13(6-1)14-7-3-4-9-16(14)21-17(15)12-26-20-23-22-19(25-20)18-10-5-11-24-18/h1-11H,12H2
InChIKeyDNTXWHMSTKLKQX-UHFFFAOYSA-N
MW359.41 g/mol
LogP5.32
Rot. Bonds4

About 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole

2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 18197019) has the molecular formula C20H13N3O2S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID18197019
Molecular FormulaC20H13N3O2S
Molecular Weight359.41 g/mol
Exact Mass359.07
IUPAC Name2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCc3nc4ccccc4c4ccccc34)o2)c1
InChIInChI=1S/C20H13N3O2S/c1-2-8-15-13(6-1)14-7-3-4-9-16(14)21-17(15)12-26-20-23-22-19(25-20)18-10-5-11-24-18/h1-11H,12H2
InChIKeyDNTXWHMSTKLKQX-UHFFFAOYSA-N
XLogP5.32
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-1-ylethanone
CID 593280
2-(furan-2-yl)-5-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 135569596
2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 46552334
6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 7593815
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 1303799
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 134066521
N-(cyanomethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8663158
2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 51066084
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396
N-(2-cyanoethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 7376793
2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 17401686

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 18197019) is 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole is c1coc(-c2nnc(SCc3nc4ccccc4c4ccccc34)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is DNTXWHMSTKLKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2S/c1-2-8-15-13(6-1)14-7-3-4-9-16(14)21-17(15)12-26-20-23-22-19(25-20)18-10-5-11-24-18/h1-11H,12H2.
What are the key properties of 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 359.41 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 18197019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).