N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide

C15H16F3N3O3 — CID 71558109

IUPACN-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
SMILESCOc1cccc(NC(=O)CCCCc2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C15H16F3N3O3/c1-23-11-6-4-5-10(9-11)19-13(22)8-3-2-7-12-20-14(24-21-12)15(16,17)18/h4-6,9H,2-3,7-8H2,1H3,(H,19,22)
InChIKeyMCKFEVTZGOGZDI-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.45
Rot. Bonds7

About N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide

N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide (PubChem CID 71558109) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
PubChem CID71558109
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
SMILESCOc1cccc(NC(=O)CCCCc2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C15H16F3N3O3/c1-23-11-6-4-5-10(9-11)19-13(22)8-3-2-7-12-20-14(24-21-12)15(16,17)18/h4-6,9H,2-3,7-8H2,1H3,(H,19,22)
InChIKeyMCKFEVTZGOGZDI-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.45
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

N-propan-2-yl-4-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]heptanoylamino]benzamide
CID 167308930
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
S-sulfanyl N-methyl-N-[4-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]heptanoylamino]phenyl]carbamothioate
CID 167309149
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-(3-methoxyphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
CID 171343840
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)butanamide
CID 16957371
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
The IUPAC name of N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide (CID 71558109) is N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide is COc1cccc(NC(=O)CCCCc2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
The InChIKey is MCKFEVTZGOGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-23-11-6-4-5-10(9-11)19-13(22)8-3-2-7-12-20-14(24-21-12)15(16,17)18/h4-6,9H,2-3,7-8H2,1H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide?
N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide has a molecular weight of 343.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide is sourced from PubChem (CID 71558109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).