4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one

C24H32F3N3O4S — CID 148921814

IUPAC4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
SMILESCOc1cc(CCC(=O)CC2CCC(CCN3CCc4sc(OCC(F)(F)F)nc4C3)CC2)on1
InChIInChI=1S/C24H32F3N3O4S/c1-32-22-13-19(34-29-22)7-6-18(31)12-17-4-2-16(3-5-17)8-10-30-11-9-21-20(14-30)28-23(35-21)33-15-24(25,26)27/h13,16-17H,2-12,14-15H2,1H3
InChIKeyPKFLEUNVLPAJGN-UHFFFAOYSA-N
MW515.60 g/mol
LogP5.23
Rot. Bonds11

About 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one

4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one (PubChem CID 148921814) has the molecular formula C24H32F3N3O4S and a molecular weight of 515.60 g/mol. Its IUPAC name is 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one.

Molecular Properties

Compound Name4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
PubChem CID148921814
Molecular FormulaC24H32F3N3O4S
Molecular Weight515.60 g/mol
Exact Mass515.21
IUPAC Name4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
SMILESCOc1cc(CCC(=O)CC2CCC(CCN3CCc4sc(OCC(F)(F)F)nc4C3)CC2)on1
InChIInChI=1S/C24H32F3N3O4S/c1-32-22-13-19(34-29-22)7-6-18(31)12-17-4-2-16(3-5-17)8-10-30-11-9-21-20(14-30)28-23(35-21)33-15-24(25,26)27/h13,16-17H,2-12,14-15H2,1H3
InChIKeyPKFLEUNVLPAJGN-UHFFFAOYSA-N
XLogP5.23
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.60
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
The IUPAC name of 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one (CID 148921814) is 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one.
What is the SMILES notation for 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
The canonical SMILES for 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one is COc1cc(CCC(=O)CC2CCC(CCN3CCc4sc(OCC(F)(F)F)nc4C3)CC2)on1.
What is the InChIKey of 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
The InChIKey is PKFLEUNVLPAJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O4S/c1-32-22-13-19(34-29-22)7-6-18(31)12-17-4-2-16(3-5-17)8-10-30-11-9-21-20(14-30)28-23(35-21)33-15-24(25,26)27/h13,16-17H,2-12,14-15H2,1H3.
What are the key properties of 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one has a molecular weight of 515.60 g/mol, XLogP of 5.23, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one is sourced from PubChem (CID 148921814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).