N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

C21H23N3O4S — CID 23648782

IUPACN-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCCC4)cc3)s2)no1
InChIInChI=1S/C21H23N3O4S/c1-13(23-14(2)25)19-11-18(24-28-19)20-12-22-21(29-20)27-17-9-7-16(8-10-17)26-15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H,23,25)
InChIKeyWDUUFSWPKOIOLX-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.11
Rot. Bonds7

About N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648782) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648782
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCCC4)cc3)s2)no1
InChIInChI=1S/C21H23N3O4S/c1-13(23-14(2)25)19-11-18(24-28-19)20-12-22-21(29-20)27-17-9-7-16(8-10-17)26-15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H,23,25)
InChIKeyWDUUFSWPKOIOLX-UHFFFAOYSA-N
XLogP5.11
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648782) is N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCCC4)cc3)s2)no1.
What is the InChIKey of N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is WDUUFSWPKOIOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13(23-14(2)25)19-11-18(24-28-19)20-12-22-21(29-20)27-17-9-7-16(8-10-17)26-15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(4-cyclopentyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).