N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide

C19H20ClN3O4S — CID 23648640

IUPACN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C(C)C)on3)s2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O4S/c1-10(2)18(24)22-11(3)16-8-14(23-27-16)17-9-21-19(28-17)26-15-6-5-12(25-4)7-13(15)20/h5-11H,1-4H3,(H,22,24)
InChIKeyFLJITHZPUHZQHJ-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.09
Rot. Bonds7

About N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide

N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide (PubChem CID 23648640) 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-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide
PubChem CID23648640
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC NameN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C(C)C)on3)s2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O4S/c1-10(2)18(24)22-11(3)16-8-14(23-27-16)17-9-21-19(28-17)26-15-6-5-12(25-4)7-13(15)20/h5-11H,1-4H3,(H,22,24)
InChIKeyFLJITHZPUHZQHJ-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
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-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide (CID 23648640) is N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide is COc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C(C)C)on3)s2)c(Cl)c1.
What is the InChIKey of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide?
The InChIKey is FLJITHZPUHZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-10(2)18(24)22-11(3)16-8-14(23-27-16)17-9-21-19(28-17)26-15-6-5-12(25-4)7-13(15)20/h5-11H,1-4H3,(H,22,24).
What are the key properties of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide?
N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide has a molecular weight of 421.91 g/mol, XLogP of 5.09, 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-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 23648640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).