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

C20H23N3O4S — CID 23648923

IUPACN-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1onc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)c1C
InChIInChI=1S/C20H23N3O4S/c1-11(2)25-15-6-8-16(9-7-15)26-20-21-10-17(28-20)18-12(3)19(27-23-18)13(4)22-14(5)24/h6-11,13H,1-5H3,(H,22,24)
InChIKeyVXQIBMLVZVVIFI-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.88
Rot. Bonds7

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

N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648923) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648923
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1onc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)c1C
InChIInChI=1S/C20H23N3O4S/c1-11(2)25-15-6-8-16(9-7-15)26-20-21-10-17(28-20)18-12(3)19(27-23-18)13(4)22-14(5)24/h6-11,13H,1-5H3,(H,22,24)
InChIKeyVXQIBMLVZVVIFI-UHFFFAOYSA-N
XLogP4.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648923) is N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1onc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)c1C.
What is the InChIKey of N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is VXQIBMLVZVVIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-11(2)25-15-6-8-16(9-7-15)26-20-21-10-17(28-20)18-12(3)19(27-23-18)13(4)22-14(5)24/h6-11,13H,1-5H3,(H,22,24).
What are the key properties of N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).