N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide

C11H5ClN4O5S — CID 2104545

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H5ClN4O5S/c12-7-3-2-6(22-7)10-14-15-11(21-10)13-9(17)5-1-4-8(20-5)16(18)19/h1-4H,(H,13,15,17)
InChIKeyRPSQSMACXJWMEY-UHFFFAOYSA-N
MW340.70 g/mol
LogP3.20
Rot. Bonds4

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 2104545) has the molecular formula C11H5ClN4O5S and a molecular weight of 340.70 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID2104545
Molecular FormulaC11H5ClN4O5S
Molecular Weight340.70 g/mol
Exact Mass339.97
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H5ClN4O5S/c12-7-3-2-6(22-7)10-14-15-11(21-10)13-9(17)5-1-4-8(20-5)16(18)19/h1-4H,(H,13,15,17)
InChIKeyRPSQSMACXJWMEY-UHFFFAOYSA-N
XLogP3.20
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.70
LogP ≤ 53.20
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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 5083854
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 43972849
5-nitro-N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104446
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43972848
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104543
(E)-N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-(5-nitrothiophen-2-yl)acrylamide
CID 5097777
(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6269634
N-(5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 43972645
N-(5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 44069757
5-nitro-N-(5-((phenylthio)methyl)-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
CID 44921436
5-nitro-N-(5-(2-(phenylthio)ethyl)-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
CID 44921588
5-nitro-N-(5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
CID 49693625

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 2104545) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is RPSQSMACXJWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN4O5S/c12-7-3-2-6(22-7)10-14-15-11(21-10)13-9(17)5-1-4-8(20-5)16(18)19/h1-4H,(H,13,15,17).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 340.70 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2104545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).