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

C20H23F2N3O3 — CID 91912481

IUPAC(2,4-difluorophenyl)-[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)c3ccc(F)cc3F)CC23CCOCC3)o1
InChIInChI=1S/C20H23F2N3O3/c1-12(2)17-23-24-18(28-17)15-10-25(11-20(15)5-7-27-8-6-20)19(26)14-4-3-13(21)9-16(14)22/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyWQDCIROSSLAHCF-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.51
Rot. Bonds3

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

(2,4-difluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912481) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912481
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name(2,4-difluorophenyl)-[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)c3ccc(F)cc3F)CC23CCOCC3)o1
InChIInChI=1S/C20H23F2N3O3/c1-12(2)17-23-24-18(28-17)15-10-25(11-20(15)5-7-27-8-6-20)19(26)14-4-3-13(21)9-16(14)22/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyWQDCIROSSLAHCF-UHFFFAOYSA-N
XLogP3.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[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 (2,4-difluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912481) is (2,4-difluorophenyl)-[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 (2,4-difluorophenyl)-[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 (2,4-difluorophenyl)-[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)c3ccc(F)cc3F)CC23CCOCC3)o1.
What is the InChIKey of (2,4-difluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is WQDCIROSSLAHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-12(2)17-23-24-18(28-17)15-10-25(11-20(15)5-7-27-8-6-20)19(26)14-4-3-13(21)9-16(14)22/h3-4,9,12,15H,5-8,10-11H2,1-2H3.
What are the key properties of (2,4-difluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2,4-difluorophenyl)-[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 391.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[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 91912481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).