N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide

C15H17F2N3O3 — CID 177197071

IUPACN-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
SMILESCON(Cc1ccc(C2=NC(C(F)F)ON2)cc1)C(=O)C1CC1
InChIInChI=1S/C15H17F2N3O3/c1-22-20(15(21)11-6-7-11)8-9-2-4-10(5-3-9)13-18-14(12(16)17)23-19-13/h2-5,11-12,14H,6-8H2,1H3,(H,18,19)
InChIKeyWXVFQZLDHXPAEH-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.86
Rot. Bonds6

About N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide

N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide (PubChem CID 177197071) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.31 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
PubChem CID177197071
Molecular FormulaC15H17F2N3O3
Molecular Weight325.31 g/mol
Exact Mass325.12
IUPAC NameN-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
SMILESCON(Cc1ccc(C2=NC(C(F)F)ON2)cc1)C(=O)C1CC1
InChIInChI=1S/C15H17F2N3O3/c1-22-20(15(21)11-6-7-11)8-9-2-4-10(5-3-9)13-18-14(12(16)17)23-19-13/h2-5,11-12,14H,6-8H2,1H3,(H,18,19)
InChIKeyWXVFQZLDHXPAEH-UHFFFAOYSA-N
XLogP1.86
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide (CID 177197071) is N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide is CON(Cc1ccc(C2=NC(C(F)F)ON2)cc1)C(=O)C1CC1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
The InChIKey is WXVFQZLDHXPAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-22-20(15(21)11-6-7-11)8-9-2-4-10(5-3-9)13-18-14(12(16)17)23-19-13/h2-5,11-12,14H,6-8H2,1H3,(H,18,19).
What are the key properties of N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide has a molecular weight of 325.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide is sourced from PubChem (CID 177197071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).