2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide

C26H32F2N4O3S — CID 138671596

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3noc4ccccc34)CC1)C2
InChIInChI=1S/C26H32F2N4O3S/c1-26(27,28)16-34-25-30-21-15-32(13-11-23(21)36-25)12-10-17-6-8-18(9-7-17)29-24(33)14-20-19-4-2-3-5-22(19)35-31-20/h2-5,17-18H,6-16H2,1H3,(H,29,33)
InChIKeyWVDIYLKCVXFFCE-UHFFFAOYSA-N
MW518.63 g/mol
LogP4.98
Rot. Bonds9

About 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138671596) has the molecular formula C26H32F2N4O3S and a molecular weight of 518.63 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
PubChem CID138671596
Molecular FormulaC26H32F2N4O3S
Molecular Weight518.63 g/mol
Exact Mass518.22
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3noc4ccccc34)CC1)C2
InChIInChI=1S/C26H32F2N4O3S/c1-26(27,28)16-34-25-30-21-15-32(13-11-23(21)36-25)12-10-17-6-8-18(9-7-17)29-24(33)14-20-19-4-2-3-5-22(19)35-31-20/h2-5,17-18H,6-16H2,1H3,(H,29,33)
InChIKeyWVDIYLKCVXFFCE-UHFFFAOYSA-N
XLogP4.98
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.63
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (CID 138671596) is 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3noc4ccccc34)CC1)C2.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is WVDIYLKCVXFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O3S/c1-26(27,28)16-34-25-30-21-15-32(13-11-23(21)36-25)12-10-17-6-8-18(9-7-17)29-24(33)14-20-19-4-2-3-5-22(19)35-31-20/h2-5,17-18H,6-16H2,1H3,(H,29,33).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 518.63 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138671596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).