4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide

C19H14F5N3O3 — CID 166184406

IUPAC4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide
SMILESO=C(CCCOc1ccc(F)cc1F)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H14F5N3O3/c20-12-5-8-15(14(21)10-12)29-9-1-2-16(28)25-13-6-3-11(4-7-13)17-26-18(30-27-17)19(22,23)24/h3-8,10H,1-2,9H2,(H,25,28)
InChIKeyLVQRVWGCPBCRHP-UHFFFAOYSA-N
MW427.33 g/mol
LogP4.83
Rot. Bonds7

About 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide

4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide (PubChem CID 166184406) has the molecular formula C19H14F5N3O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide
PubChem CID166184406
Molecular FormulaC19H14F5N3O3
Molecular Weight427.33 g/mol
Exact Mass427.10
IUPAC Name4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide
SMILESO=C(CCCOc1ccc(F)cc1F)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H14F5N3O3/c20-12-5-8-15(14(21)10-12)29-9-1-2-16(28)25-13-6-3-11(4-7-13)17-26-18(30-27-17)19(22,23)24/h3-8,10H,1-2,9H2,(H,25,28)
InChIKeyLVQRVWGCPBCRHP-UHFFFAOYSA-N
XLogP4.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]heptanamide
CID 119767457
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 38905539
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
1-(4-fluorophenyl)-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]urea
CID 151255198
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] N-(difluoromethyl)carbamate
CID 145340171
1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 145340178
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide (CID 166184406) is 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide is O=C(CCCOc1ccc(F)cc1F)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide?
The InChIKey is LVQRVWGCPBCRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O3/c20-12-5-8-15(14(21)10-12)29-9-1-2-16(28)25-13-6-3-11(4-7-13)17-26-18(30-27-17)19(22,23)24/h3-8,10H,1-2,9H2,(H,25,28).
What are the key properties of 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide?
4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide has a molecular weight of 427.33 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butanamide is sourced from PubChem (CID 166184406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).