1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one

C20H20Cl2F4N4O2 — CID 170756428

IUPAC1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one
SMILESCC(C)(C(=O)N1CC2(CNCC2c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C1)C(F)F
InChIInChI=1S/C20H20Cl2F4N4O2/c1-18(2,15(23)24)17(31)30-8-19(9-30)7-27-6-11(19)14-28-29-16(32-14)20(25,26)10-3-4-12(21)13(22)5-10/h3-5,11,15,27H,6-9H2,1-2H3
InChIKeyZQIDDMFFAYZLAV-UHFFFAOYSA-N
MW495.30 g/mol
LogP4.32
Rot. Bonds5

About 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one

1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one (PubChem CID 170756428) has the molecular formula C20H20Cl2F4N4O2 and a molecular weight of 495.30 g/mol. Its IUPAC name is 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one
PubChem CID170756428
Molecular FormulaC20H20Cl2F4N4O2
Molecular Weight495.30 g/mol
Exact Mass494.09
IUPAC Name1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one
SMILESCC(C)(C(=O)N1CC2(CNCC2c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C1)C(F)F
InChIInChI=1S/C20H20Cl2F4N4O2/c1-18(2,15(23)24)17(31)30-8-19(9-30)7-27-6-11(19)14-28-29-16(32-14)20(25,26)10-3-4-12(21)13(22)5-10/h3-5,11,15,27H,6-9H2,1-2H3
InChIKeyZQIDDMFFAYZLAV-UHFFFAOYSA-N
XLogP4.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one (CID 170756428) is 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one is CC(C)(C(=O)N1CC2(CNCC2c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C1)C(F)F.
What is the InChIKey of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one?
The InChIKey is ZQIDDMFFAYZLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F4N4O2/c1-18(2,15(23)24)17(31)30-8-19(9-30)7-27-6-11(19)14-28-29-16(32-14)20(25,26)10-3-4-12(21)13(22)5-10/h3-5,11,15,27H,6-9H2,1-2H3.
What are the key properties of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one?
1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one has a molecular weight of 495.30 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-3,3-difluoro-2,2-dimethylpropan-1-one is sourced from PubChem (CID 170756428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).