N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C20H16F4N4O3 — CID 138629944

IUPACN-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C=NOCc1ccc(F)cc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H16F4N4O3/c1-12(10-25-30-11-13-2-8-16(21)9-3-13)26-18(29)15-6-4-14(5-7-15)17-27-19(31-28-17)20(22,23)24/h2-10,12H,11H2,1H3,(H,26,29)
InChIKeySNQGBTOJTSSLLD-UHFFFAOYSA-N
MW436.37 g/mol
LogP4.22
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138629944) has the molecular formula C20H16F4N4O3 and a molecular weight of 436.37 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138629944
Molecular FormulaC20H16F4N4O3
Molecular Weight436.37 g/mol
Exact Mass436.12
IUPAC NameN-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C=NOCc1ccc(F)cc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H16F4N4O3/c1-12(10-25-30-11-13-2-8-16(21)9-3-13)26-18(29)15-6-4-14(5-7-15)17-27-19(31-28-17)20(22,23)24/h2-10,12H,11H2,1H3,(H,26,29)
InChIKeySNQGBTOJTSSLLD-UHFFFAOYSA-N
XLogP4.22
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1E)-1-(2-fluoroethoxyimino)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138629849
N-[(1Z)-1-[(2-chloro-4-fluorophenyl)methoxyimino]propan-2-yl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138629904
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[(4E)-4-[[3-(trifluoromethyl)phenyl]methoxyimino]butan-2-yl]benzamide
CID 138667968
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl N-propan-2-ylcarbamate
CID 166559367
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
(2R)-3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]butanoic acid
CID 119368977
N-[(2Z)-2-propan-2-yloxyiminoethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138629876
4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 138667689
N-[(Z)-methoxyiminomethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 159324725
N-[(2R)-1-[benzyl(methyl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl](18F)benzamide
CID 163321921
N-[1-(diethylamino)-3-methylbutan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230858
N-(1,1,3,4-tetrahydroxybutan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 90149752

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138629944) is N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(C=NOCc1ccc(F)cc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is SNQGBTOJTSSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O3/c1-12(10-25-30-11-13-2-8-16(21)9-3-13)26-18(29)15-6-4-14(5-7-15)17-27-19(31-28-17)20(22,23)24/h2-10,12H,11H2,1H3,(H,26,29).
What are the key properties of N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 436.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methoxyimino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138629944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).