10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

C19H28F2N4O4 — CID 133140729

IUPAC10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CN(C(=O)Cc3noc(C(C)C)n3)CC(F)(F)C2)C1=O
InChIInChI=1S/C19H28F2N4O4/c1-13(2)16-22-14(23-29-16)9-15(26)25-11-18(10-19(20,21)12-25)5-4-6-24(17(18)27)7-8-28-3/h13H,4-12H2,1-3H3
InChIKeyVFAQXJYPTLFUGO-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.86
Rot. Bonds6

About 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 133140729) has the molecular formula C19H28F2N4O4 and a molecular weight of 414.45 g/mol. Its IUPAC name is 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID133140729
Molecular FormulaC19H28F2N4O4
Molecular Weight414.45 g/mol
Exact Mass414.21
IUPAC Name10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CN(C(=O)Cc3noc(C(C)C)n3)CC(F)(F)C2)C1=O
InChIInChI=1S/C19H28F2N4O4/c1-13(2)16-22-14(23-29-16)9-15(26)25-11-18(10-19(20,21)12-25)5-4-6-24(17(18)27)7-8-28-3/h13H,4-12H2,1-3H3
InChIKeyVFAQXJYPTLFUGO-UHFFFAOYSA-N
XLogP1.86
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 133140729) is 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is COCCN1CCCC2(CN(C(=O)Cc3noc(C(C)C)n3)CC(F)(F)C2)C1=O.
What is the InChIKey of 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is VFAQXJYPTLFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O4/c1-13(2)16-22-14(23-29-16)9-15(26)25-11-18(10-19(20,21)12-25)5-4-6-24(17(18)27)7-8-28-3/h13H,4-12H2,1-3H3.
What are the key properties of 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 414.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 133140729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).