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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Related Compounds

CID 16110748
CID 16110748
CID 16110750
CID 16110750
CID 16110757
CID 16110757
CID 23648578
CID 23648578
CID 23648579
CID 23648579
CID 23648580
CID 23648580
CID 23648605
CID 23648605
CID 23648606
CID 23648606
CID 23648607
CID 23648607
CID 23648608
CID 23648608
CID 23648609
CID 23648609
CID 23648610
CID 23648610

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).