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

C22H30N4O2 — CID 171632455

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H18N4O2.C10H12/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-6-10-8-4-3-7-9(10)5-1/h8-9H,2-7H2,1H3,(H,14,15);1-2,5-6H,3-4,7-8H2
InChIKeyCZHBJHJZHUOXQM-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.84
Rot. Bonds3

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

1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene (PubChem CID 171632455) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene
PubChem CID171632455
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H18N4O2.C10H12/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-6-10-8-4-3-7-9(10)5-1/h8-9H,2-7H2,1H3,(H,14,15);1-2,5-6H,3-4,7-8H2
InChIKeyCZHBJHJZHUOXQM-UHFFFAOYSA-N
XLogP3.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane
CID 171632434
1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene
CID 171631937
(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-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631821
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632579
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen
CID 171632070
(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
(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-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632426
(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
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
CID 171631725

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 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) is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene is CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene?
The InChIKey is CZHBJHJZHUOXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C10H12/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-6-10-8-4-3-7-9(10)5-1/h8-9H,2-7H2,1H3,(H,14,15);1-2,5-6H,3-4,7-8H2.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene?
1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene has a molecular weight of 382.51 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 171632455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).