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

C18H12N4O7 — CID 70941535

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)o1
InChIInChI=1S/C18H12N4O7/c1-26-15-9-10(22(24)25)4-5-11(15)12-6-7-13(28-12)16(23)19-18-21-20-17(29-18)14-3-2-8-27-14/h2-9H,1H3,(H,19,21,23)
InChIKeyPWCGVAJLSKGVLW-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.76
Rot. Bonds6

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (PubChem CID 70941535) has the molecular formula C18H12N4O7 and a molecular weight of 396.32 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
PubChem CID70941535
Molecular FormulaC18H12N4O7
Molecular Weight396.32 g/mol
Exact Mass396.07
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)o1
InChIInChI=1S/C18H12N4O7/c1-26-15-9-10(22(24)25)4-5-11(15)12-6-7-13(28-12)16(23)19-18-21-20-17(29-18)14-3-2-8-27-14/h2-9H,1H3,(H,19,21,23)
InChIKeyPWCGVAJLSKGVLW-UHFFFAOYSA-N
XLogP3.76
TPSA146.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylfuran-2-carboxamide
CID 90320525
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
CID 70941492
5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 53327040
5-(2-methoxy-4-nitrophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 18531150
5-(2-methoxy-4-nitrophenyl)-N,N-dimethylfuran-2-carbothioamide
CID 51983792
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3604057
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 5111728
1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone
CID 168527546
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 1349590
5-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (CID 70941535) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)o1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is PWCGVAJLSKGVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O7/c1-26-15-9-10(22(24)25)4-5-11(15)12-6-7-13(28-12)16(23)19-18-21-20-17(29-18)14-3-2-8-27-14/h2-9H,1H3,(H,19,21,23).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 396.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 70941535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).