3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

C22H35N3O3 — CID 91924560

IUPAC3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)CCC3CCCCC3)CC23CCOCC3)o1
InChIInChI=1S/C22H35N3O3/c1-16(2)20-23-24-21(28-20)18-14-25(15-22(18)10-12-27-13-11-22)19(26)9-8-17-6-4-3-5-7-17/h16-18H,3-15H2,1-2H3
InChIKeyVLTLWIIQXJBNQD-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.28
Rot. Bonds5

About 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 91924560) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID91924560
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)CCC3CCCCC3)CC23CCOCC3)o1
InChIInChI=1S/C22H35N3O3/c1-16(2)20-23-24-21(28-20)18-14-25(15-22(18)10-12-27-13-11-22)19(26)9-8-17-6-4-3-5-7-17/h16-18H,3-15H2,1-2H3
InChIKeyVLTLWIIQXJBNQD-UHFFFAOYSA-N
XLogP4.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 91924560) is 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is CC(C)c1nnc(C2CN(C(=O)CCC3CCCCC3)CC23CCOCC3)o1.
What is the InChIKey of 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is VLTLWIIQXJBNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16(2)20-23-24-21(28-20)18-14-25(15-22(18)10-12-27-13-11-22)19(26)9-8-17-6-4-3-5-7-17/h16-18H,3-15H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 389.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 91924560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).