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

C15H12N4O5 — CID 7244053

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)c(C)c1
InChIInChI=1S/C15H12N4O5/c1-8-3-4-10(9(2)7-8)14-17-18-15(24-14)16-13(20)11-5-6-12(23-11)19(21)22/h3-7H,1-2H3,(H,16,18,20)
InChIKeyUHLQIIJPKYSNRL-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.11
Rot. Bonds4

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

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 7244053) has the molecular formula C15H12N4O5 and a molecular weight of 328.28 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID7244053
Molecular FormulaC15H12N4O5
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)c(C)c1
InChIInChI=1S/C15H12N4O5/c1-8-3-4-10(9(2)7-8)14-17-18-15(24-14)16-13(20)11-5-6-12(23-11)19(21)22/h3-7H,1-2H3,(H,16,18,20)
InChIKeyUHLQIIJPKYSNRL-UHFFFAOYSA-N
XLogP3.11
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 7244053) is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is UHLQIIJPKYSNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5/c1-8-3-4-10(9(2)7-8)14-17-18-15(24-14)16-13(20)11-5-6-12(23-11)19(21)22/h3-7H,1-2H3,(H,16,18,20).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 328.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 7244053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).