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

C19H20ClN3O4S — CID 23648669

IUPACN-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3Cl)s2)no1
InChIInChI=1S/C19H20ClN3O4S/c1-10(2)25-13-5-6-16(14(20)7-13)26-19-21-9-18(28-19)15-8-17(27-23-15)11(3)22-12(4)24/h5-11H,1-4H3,(H,22,24)
InChIKeyXWUWZBBGLLFMAZ-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.23
Rot. Bonds7

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

N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648669) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648669
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC NameN-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3Cl)s2)no1
InChIInChI=1S/C19H20ClN3O4S/c1-10(2)25-13-5-6-16(14(20)7-13)26-19-21-9-18(28-19)15-8-17(27-23-15)11(3)22-12(4)24/h5-11H,1-4H3,(H,22,24)
InChIKeyXWUWZBBGLLFMAZ-UHFFFAOYSA-N
XLogP5.23
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.23
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-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648669) is N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3Cl)s2)no1.
What is the InChIKey of N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is XWUWZBBGLLFMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-10(2)25-13-5-6-16(14(20)7-13)26-19-21-9-18(28-19)15-8-17(27-23-15)11(3)22-12(4)24/h5-11H,1-4H3,(H,22,24).
What are the key properties of N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 421.91 g/mol, XLogP of 5.23, 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-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).