anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane

C22H32N4O3 — CID 171632434

IUPACanisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane
SMILESC1CC1.CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.COc1ccccc1
InChIInChI=1S/C12H18N4O2.C7H8O.C3H6/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-8-7-5-3-2-4-6-7;1-2-3-1/h8-9H,2-7H2,1H3,(H,14,15);2-6H,1H3;1-3H2
InChIKeyAPJQFLYAKXNDCU-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.14
Rot. Bonds4

About anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane

anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane (PubChem CID 171632434) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane.

Molecular Properties

Compound Nameanisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane
PubChem CID171632434
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Nameanisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane
SMILESC1CC1.CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.COc1ccccc1
InChIInChI=1S/C12H18N4O2.C7H8O.C3H6/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-8-7-5-3-2-4-6-7;1-2-3-1/h8-9H,2-7H2,1H3,(H,14,15);2-6H,1H3;1-3H2
InChIKeyAPJQFLYAKXNDCU-UHFFFAOYSA-N
XLogP4.14
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene
CID 171631937
1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene
CID 171632455
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632433
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
CID 171631725
2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile
CID 171632688
(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
CID 171632139
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631908
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632426
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-methoxy-2-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632400
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631962

Frequently Asked Questions

What is the IUPAC name of anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane?
The IUPAC name of anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane (CID 171632434) is anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane.
What is the SMILES notation for anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane?
The canonical SMILES for anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane is C1CC1.CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.COc1ccccc1.
What is the InChIKey of anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane?
The InChIKey is APJQFLYAKXNDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C7H8O.C3H6/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-8-7-5-3-2-4-6-7;1-2-3-1/h8-9H,2-7H2,1H3,(H,14,15);2-6H,1H3;1-3H2.
What are the key properties of anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane?
anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane has a molecular weight of 400.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane is sourced from PubChem (CID 171632434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).