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

C15H12N4O6 — CID 16917859

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)cc1
InChIInChI=1S/C15H12N4O6/c1-23-10-4-2-9(3-5-10)8-12-17-18-15(25-12)16-14(20)11-6-7-13(24-11)19(21)22/h2-7H,8H2,1H3,(H,16,18,20)
InChIKeyUOSMZJFMGKYBCT-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.42
Rot. Bonds6

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

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 16917859) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID16917859
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)cc1
InChIInChI=1S/C15H12N4O6/c1-23-10-4-2-9(3-5-10)8-12-17-18-15(25-12)16-14(20)11-6-7-13(24-11)19(21)22/h2-7H,8H2,1H3,(H,16,18,20)
InChIKeyUOSMZJFMGKYBCT-UHFFFAOYSA-N
XLogP2.42
TPSA133.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 16917859) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is UOSMZJFMGKYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c1-23-10-4-2-9(3-5-10)8-12-17-18-15(25-12)16-14(20)11-6-7-13(24-11)19(21)22/h2-7H,8H2,1H3,(H,16,18,20).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 344.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 16917859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).