2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide

C24H32F3N5O3S — CID 149489293

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide
SMILESCc1nnc(CC(=O)NC23CCC(CCN4CCc5nc(OCC(F)(F)F)sc5CC4)(CC2)CC3)o1
InChIInChI=1S/C24H32F3N5O3S/c1-16-30-31-20(35-16)14-19(33)29-23-7-4-22(5-8-23,6-9-23)10-13-32-11-2-17-18(3-12-32)36-21(28-17)34-15-24(25,26)27/h2-15H2,1H3,(H,29,33)
InChIKeyZEUBNARLFXEIJD-UHFFFAOYSA-N
MW527.61 g/mol
LogP4.02
Rot. Bonds8

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide

2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide (PubChem CID 149489293) has the molecular formula C24H32F3N5O3S and a molecular weight of 527.61 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide
PubChem CID149489293
Molecular FormulaC24H32F3N5O3S
Molecular Weight527.61 g/mol
Exact Mass527.22
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide
SMILESCc1nnc(CC(=O)NC23CCC(CCN4CCc5nc(OCC(F)(F)F)sc5CC4)(CC2)CC3)o1
InChIInChI=1S/C24H32F3N5O3S/c1-16-30-31-20(35-16)14-19(33)29-23-7-4-22(5-8-23,6-9-23)10-13-32-11-2-17-18(3-12-32)36-21(28-17)34-15-24(25,26)27/h2-15H2,1H3,(H,29,33)
InChIKeyZEUBNARLFXEIJD-UHFFFAOYSA-N
XLogP4.02
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.61
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide with MolForge

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Related Compounds

N-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 138670796
1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one
CID 158003009
2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671941
2-(1-methylpyrazol-4-yl)-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]acetamide
CID 138671173
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide
CID 138671163
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1,3-benzoxazole-5-carboxamide
CID 138671500
1-(2-methyl-4-pyridinyl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one
CID 158106700
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 138671869
1-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-one
CID 158717747
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 138671157
1-(2-methyl-3-pyridinyl)-2-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]ethanone
CID 160584299
N-(3-cyclopropylpropoxymethyl)-4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexan-1-amine
CID 145451960

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide (CID 149489293) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide is Cc1nnc(CC(=O)NC23CCC(CCN4CCc5nc(OCC(F)(F)F)sc5CC4)(CC2)CC3)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide?
The InChIKey is ZEUBNARLFXEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O3S/c1-16-30-31-20(35-16)14-19(33)29-23-7-4-22(5-8-23,6-9-23)10-13-32-11-2-17-18(3-12-32)36-21(28-17)34-15-24(25,26)27/h2-15H2,1H3,(H,29,33).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide has a molecular weight of 527.61 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]acetamide is sourced from PubChem (CID 149489293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).