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

C22H30N4O3 — CID 171631937

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.c1ccc(OC2CCC2)cc1
InChIInChI=1S/C12H18N4O2.C10H12O/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-5-9(6-3-1)11-10-7-4-8-10/h8-9H,2-7H2,1H3,(H,14,15);1-3,5-6,10H,4,7-8H2
InChIKeyINDSZKYQQFTTOW-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.89
Rot. Bonds5

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

1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene (PubChem CID 171631937) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene
PubChem CID171631937
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.c1ccc(OC2CCC2)cc1
InChIInChI=1S/C12H18N4O2.C10H12O/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-5-9(6-3-1)11-10-7-4-8-10/h8-9H,2-7H2,1H3,(H,14,15);1-3,5-6,10H,4,7-8H2
InChIKeyINDSZKYQQFTTOW-UHFFFAOYSA-N
XLogP3.89
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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;cyclobutyloxybenzene?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene (CID 171631937) is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene is CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.c1ccc(OC2CCC2)cc1.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene?
The InChIKey is INDSZKYQQFTTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C10H12O/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-5-9(6-3-1)11-10-7-4-8-10/h8-9H,2-7H2,1H3,(H,14,15);1-3,5-6,10H,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;cyclobutyloxybenzene?
1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene has a molecular weight of 398.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 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-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclobutyloxybenzene is sourced from PubChem (CID 171631937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).