N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide

C16H19F3N4O3 — CID 142574897

IUPACN-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)NC(CCCCN)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C16H19F3N4O3/c1-10(24)21-13(4-2-3-9-20)15-23-22-14(25-15)11-5-7-12(8-6-11)26-16(17,18)19/h5-8,13H,2-4,9,20H2,1H3,(H,21,24)
InChIKeyLDRCDSGNYXOXJC-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.94
Rot. Bonds8

About N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide

N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide (PubChem CID 142574897) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
PubChem CID142574897
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC NameN-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)NC(CCCCN)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C16H19F3N4O3/c1-10(24)21-13(4-2-3-9-20)15-23-22-14(25-15)11-5-7-12(8-6-11)26-16(17,18)19/h5-8,13H,2-4,9,20H2,1H3,(H,21,24)
InChIKeyLDRCDSGNYXOXJC-UHFFFAOYSA-N
XLogP2.94
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-amino-1-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentyl]acetamide
CID 142574774
N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane
CID 142574902
N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
CID 160808877
N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide
CID 144950554
N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 32509192
2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide
CID 91498229
(E)-3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 116629097
N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide;hydrochloride
CID 138586563
N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 138586480
2-methyl-2-[4-[1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentylsulfanyl]phenoxy]propanoic acid
CID 11397800
N-ethyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 116629257
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2781881

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide (CID 142574897) is N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide is CC(=O)NC(CCCCN)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The InChIKey is LDRCDSGNYXOXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-10(24)21-13(4-2-3-9-20)15-23-22-14(25-15)11-5-7-12(8-6-11)26-16(17,18)19/h5-8,13H,2-4,9,20H2,1H3,(H,21,24).
What are the key properties of N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide has a molecular weight of 372.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 142574897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).