5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

C15H12N4O5S — CID 44921588

IUPAC5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(CCSc2ccccc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H12N4O5S/c20-14(11-6-7-13(23-11)19(21)22)16-15-18-17-12(24-15)8-9-25-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18,20)
InChIKeyMKCLUSASTDHSNG-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.16
Rot. Bonds7

About 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 44921588) has the molecular formula C15H12N4O5S and a molecular weight of 360.35 g/mol. Its IUPAC name is 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID44921588
Molecular FormulaC15H12N4O5S
Molecular Weight360.35 g/mol
Exact Mass360.05
IUPAC Name5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(CCSc2ccccc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H12N4O5S/c20-14(11-6-7-13(23-11)19(21)22)16-15-18-17-12(24-15)8-9-25-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18,20)
InChIKeyMKCLUSASTDHSNG-UHFFFAOYSA-N
XLogP3.16
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Nitro-N-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 44030060
N-(5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 16917859
N-(5-(2-(phenylsulfonyl)ethyl)-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
CID 18590027
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 41709750
5-nitro-N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104446
N-(5-((phenylsulfonyl)methyl)-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
CID 41613469
N-(5-(4-(isopropylthio)benzyl)-1,3,4-oxadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 45497725
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2104545
N-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 16917527
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 1416221
5-nitro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
CID 3356249
5-nitro-N-[5-(2-sulfanyloxan-4-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 141747649

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 44921588) is 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(CCSc2ccccc2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is MKCLUSASTDHSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5S/c20-14(11-6-7-13(23-11)19(21)22)16-15-18-17-12(24-15)8-9-25-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18,20).
What are the key properties of 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 360.35 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 44921588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).