N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide

C21H24ClN3O4S — CID 23648608

IUPACN-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC(C)C)cc3Cl)s2)no1
InChIInChI=1S/C21H24ClN3O4S/c1-5-20(26)24-13(4)18-9-16(25-29-18)19-10-23-21(30-19)28-17-7-6-14(8-15(17)22)27-11-12(2)3/h6-10,12-13H,5,11H2,1-4H3,(H,24,26)
InChIKeyGXJFQARREINPLK-UHFFFAOYSA-N
MW449.96 g/mol
LogP5.87
Rot. Bonds9

About N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide

N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide (PubChem CID 23648608) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide
PubChem CID23648608
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC NameN-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC(C)C)cc3Cl)s2)no1
InChIInChI=1S/C21H24ClN3O4S/c1-5-20(26)24-13(4)18-9-16(25-29-18)19-10-23-21(30-19)28-17-7-6-14(8-15(17)22)27-11-12(2)3/h6-10,12-13H,5,11H2,1-4H3,(H,24,26)
InChIKeyGXJFQARREINPLK-UHFFFAOYSA-N
XLogP5.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 55.87
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-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
The IUPAC name of N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide (CID 23648608) is N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide is CCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC(C)C)cc3Cl)s2)no1.
What is the InChIKey of N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
The InChIKey is GXJFQARREINPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-5-20(26)24-13(4)18-9-16(25-29-18)19-10-23-21(30-19)28-17-7-6-14(8-15(17)22)27-11-12(2)3/h6-10,12-13H,5,11H2,1-4H3,(H,24,26).
What are the key properties of N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide has a molecular weight of 449.96 g/mol, XLogP of 5.87, 9 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-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide is sourced from PubChem (CID 23648608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).