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

C17H19F3N4O3 — CID 142574931

IUPACN-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2nnc(-c3cccc(OC(F)(F)F)c3)o2)CC1CCCN
InChIInChI=1S/C17H19F3N4O3/c1-10(25)22-16(9-12(16)5-3-7-21)15-24-23-14(26-15)11-4-2-6-13(8-11)27-17(18,19)20/h2,4,6,8,12H,3,5,7,9,21H2,1H3,(H,22,25)
InChIKeyGGDJKTZEZRIPIW-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.73
Rot. Bonds7

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

N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide (PubChem CID 142574931) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide
PubChem CID142574931
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC NameN-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2nnc(-c3cccc(OC(F)(F)F)c3)o2)CC1CCCN
InChIInChI=1S/C17H19F3N4O3/c1-10(25)22-16(9-12(16)5-3-7-21)15-24-23-14(26-15)11-4-2-6-13(8-11)27-17(18,19)20/h2,4,6,8,12H,3,5,7,9,21H2,1H3,(H,22,25)
InChIKeyGGDJKTZEZRIPIW-UHFFFAOYSA-N
XLogP2.73
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide?
The IUPAC name of N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide (CID 142574931) is N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide.
What is the SMILES notation for N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide?
The canonical SMILES for N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide is CC(=O)NC1(c2nnc(-c3cccc(OC(F)(F)F)c3)o2)CC1CCCN.
What is the InChIKey of N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide?
The InChIKey is GGDJKTZEZRIPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-10(25)22-16(9-12(16)5-3-7-21)15-24-23-14(26-15)11-4-2-6-13(8-11)27-17(18,19)20/h2,4,6,8,12H,3,5,7,9,21H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide?
N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide has a molecular weight of 384.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide is sourced from PubChem (CID 142574931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).