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

C14H7F3N4O5 — CID 43972305

IUPAC5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H7F3N4O5/c15-14(16,17)8-3-1-7(2-4-8)12-19-20-13(26-12)18-11(22)9-5-6-10(25-9)21(23)24/h1-6H,(H,18,20,22)
InChIKeyVZZFAHKITUDMSL-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.51
Rot. Bonds4

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

5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 43972305) has the molecular formula C14H7F3N4O5 and a molecular weight of 368.23 g/mol. Its IUPAC name is 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID43972305
Molecular FormulaC14H7F3N4O5
Molecular Weight368.23 g/mol
Exact Mass368.04
IUPAC Name5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H7F3N4O5/c15-14(16,17)8-3-1-7(2-4-8)12-19-20-13(26-12)18-11(22)9-5-6-10(25-9)21(23)24/h1-6H,(H,18,20,22)
InChIKeyVZZFAHKITUDMSL-UHFFFAOYSA-N
XLogP3.51
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.51
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 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 43972305) is 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is VZZFAHKITUDMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4O5/c15-14(16,17)8-3-1-7(2-4-8)12-19-20-13(26-12)18-11(22)9-5-6-10(25-9)21(23)24/h1-6H,(H,18,20,22).
What are the key properties of 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 368.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43972305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).