5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one

C24H25NO4S — CID 67972816

IUPAC5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(OC3CCc4c(OC5CCCCC5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C24H25NO4S/c26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17/h4,7-12,15,17,22H,1-3,5-6,13-14H2,(H,25,26)
InChIKeyLWHPXDFPNRNTGJ-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.60
Rot. Bonds5

About 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 67972816) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one
PubChem CID67972816
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(OC3CCc4c(OC5CCCCC5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C24H25NO4S/c26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17/h4,7-12,15,17,22H,1-3,5-6,13-14H2,(H,25,26)
InChIKeyLWHPXDFPNRNTGJ-UHFFFAOYSA-N
XLogP4.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 67972816) is 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(c2ccc(OC3CCc4c(OC5CCCCC5)cccc43)cc2)S(=O)N1.
What is the InChIKey of 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is LWHPXDFPNRNTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17/h4,7-12,15,17,22H,1-3,5-6,13-14H2,(H,25,26).
What are the key properties of 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one?
5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 423.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 67972816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).