[8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone

C19H15Cl2F2N5O2S — CID 170755757

IUPAC[8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(CNC2)C1
InChIInChI=1S/C19H15Cl2F2N5O2S/c20-12-2-1-10(3-13(12)21)19(22,23)17-27-26-15(30-17)11-5-28(8-18(11)6-25-7-18)16(29)14-4-24-9-31-14/h1-4,9,11,25H,5-8H2
InChIKeyWFOVGRUIQXZRNO-UHFFFAOYSA-N
MW486.33 g/mol
LogP3.80
Rot. Bonds4

About [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone

[8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 170755757) has the molecular formula C19H15Cl2F2N5O2S and a molecular weight of 486.33 g/mol. Its IUPAC name is [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID170755757
Molecular FormulaC19H15Cl2F2N5O2S
Molecular Weight486.33 g/mol
Exact Mass485.03
IUPAC Name[8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(CNC2)C1
InChIInChI=1S/C19H15Cl2F2N5O2S/c20-12-2-1-10(3-13(12)21)19(22,23)17-27-26-15(30-17)11-5-28(8-18(11)6-25-7-18)16(29)14-4-24-9-31-14/h1-4,9,11,25H,5-8H2
InChIKeyWFOVGRUIQXZRNO-UHFFFAOYSA-N
XLogP3.80
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone (CID 170755757) is [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(CNC2)C1.
What is the InChIKey of [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is WFOVGRUIQXZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F2N5O2S/c20-12-2-1-10(3-13(12)21)19(22,23)17-27-26-15(30-17)11-5-28(8-18(11)6-25-7-18)16(29)14-4-24-9-31-14/h1-4,9,11,25H,5-8H2.
What are the key properties of [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
[8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 486.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 170755757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).