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

C16H19F3N4O3 — CID 138601510

IUPACN-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](CCCCN)c1nnc(-c2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C16H19F3N4O3/c1-10(24)21-12(7-4-5-9-20)15-23-22-14(25-15)11-6-2-3-8-13(11)26-16(17,18)19/h2-3,6,8,12H,4-5,7,9,20H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyLARMKJBBKAAYNA-LBPRGKRZSA-N
MW372.35 g/mol
LogP2.94
Rot. Bonds8

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

N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide (PubChem CID 138601510) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
PubChem CID138601510
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC NameN-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](CCCCN)c1nnc(-c2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C16H19F3N4O3/c1-10(24)21-12(7-4-5-9-20)15-23-22-14(25-15)11-6-2-3-8-13(11)26-16(17,18)19/h2-3,6,8,12H,4-5,7,9,20H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyLARMKJBBKAAYNA-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide (CID 138601510) is N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide is CC(=O)N[C@@H](CCCCN)c1nnc(-c2ccccc2OC(F)(F)F)o1.
What is the InChIKey of N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The InChIKey is LARMKJBBKAAYNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-10(24)21-12(7-4-5-9-20)15-23-22-14(25-15)11-6-2-3-8-13(11)26-16(17,18)19/h2-3,6,8,12H,4-5,7,9,20H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
N-[(1S)-5-amino-1-[5-[2-(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-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 138601510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).