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

C12H18N4O2 — CID 171631678

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C12H18N4O2/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyQZUJTMAVLUSQRG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.27
Rot. Bonds3

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

1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one (PubChem CID 171631678) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one
PubChem CID171631678
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C12H18N4O2/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyQZUJTMAVLUSQRG-UHFFFAOYSA-N
XLogP1.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one (CID 171631678) is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one is CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one?
The InChIKey is QZUJTMAVLUSQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16/h8-9H,2-7H2,1H3,(H,14,15).
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-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one has a molecular weight of 250.30 g/mol, XLogP of 1.27, 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 is sourced from PubChem (CID 171631678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).