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

C19H29N3O3 — CID 91912372

IUPACcyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)C3CCCC3)CC23CCOCC3)o1
InChIInChI=1S/C19H29N3O3/c1-13(2)16-20-21-17(25-16)15-11-22(18(23)14-5-3-4-6-14)12-19(15)7-9-24-10-8-19/h13-15H,3-12H2,1-2H3
InChIKeyRKBIEDUJCNBLCA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.11
Rot. Bonds3

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

cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912372) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912372
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namecyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)C3CCCC3)CC23CCOCC3)o1
InChIInChI=1S/C19H29N3O3/c1-13(2)16-20-21-17(25-16)15-11-22(18(23)14-5-3-4-6-14)12-19(15)7-9-24-10-8-19/h13-15H,3-12H2,1-2H3
InChIKeyRKBIEDUJCNBLCA-UHFFFAOYSA-N
XLogP3.11
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912372) is cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is CC(C)c1nnc(C2CN(C(=O)C3CCCC3)CC23CCOCC3)o1.
What is the InChIKey of cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is RKBIEDUJCNBLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)16-20-21-17(25-16)15-11-22(18(23)14-5-3-4-6-14)12-19(15)7-9-24-10-8-19/h13-15H,3-12H2,1-2H3.
What are the key properties of cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91912372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).