N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C16H14F3N5O2 — CID 71230988

IUPACN-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H14F3N5O2/c17-16(18,19)15-22-13(23-26-15)11-2-4-12(5-3-11)14(25)21-6-1-8-24-9-7-20-10-24/h2-5,7,9-10H,1,6,8H2,(H,21,25)
InChIKeyLKODDWQUWKQCNK-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.77
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230988) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230988
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H14F3N5O2/c17-16(18,19)15-22-13(23-26-15)11-2-4-12(5-3-11)14(25)21-6-1-8-24-9-7-20-10-24/h2-5,7,9-10H,1,6,8H2,(H,21,25)
InChIKeyLKODDWQUWKQCNK-UHFFFAOYSA-N
XLogP2.77
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230988) is N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCCCn1ccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is LKODDWQUWKQCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c17-16(18,19)15-22-13(23-26-15)11-2-4-12(5-3-11)14(25)21-6-1-8-24-9-7-20-10-24/h2-5,7,9-10H,1,6,8H2,(H,21,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 365.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).