1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole

C18H23F3N6O2 — CID 171632180

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1.O=C(CNc1nnc(C2CC2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H20N4O2.C4H3F3N2/c19-11(18-7-5-14(3-4-14)6-8-18)9-15-13-17-16-12(20-13)10-1-2-10;5-4(6,7)3-1-8-9-2-3/h10H,1-9H2,(H,15,17);1-2H,(H,8,9)
InChIKeyXEFCDNRWMXQNHJ-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.19
Rot. Bonds4

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole (PubChem CID 171632180) has the molecular formula C18H23F3N6O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole
PubChem CID171632180
Molecular FormulaC18H23F3N6O2
Molecular Weight412.42 g/mol
Exact Mass412.18
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1.O=C(CNc1nnc(C2CC2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H20N4O2.C4H3F3N2/c19-11(18-7-5-14(3-4-14)6-8-18)9-15-13-17-16-12(20-13)10-1-2-10;5-4(6,7)3-1-8-9-2-3/h10H,1-9H2,(H,15,17);1-2H,(H,8,9)
InChIKeyXEFCDNRWMXQNHJ-UHFFFAOYSA-N
XLogP3.19
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole (CID 171632180) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cn[nH]c1.O=C(CNc1nnc(C2CC2)o1)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is XEFCDNRWMXQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.C4H3F3N2/c19-11(18-7-5-14(3-4-14)6-8-18)9-15-13-17-16-12(20-13)10-1-2-10;5-4(6,7)3-1-8-9-2-3/h10H,1-9H2,(H,15,17);1-2H,(H,8,9).
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole?
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 412.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 171632180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).