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

C22H24ClN3O4S — CID 23648605

IUPACN-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)COc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)on3)s2)c(Cl)c1
InChIInChI=1S/C22H24ClN3O4S/c1-12(2)11-28-15-6-7-18(16(23)8-15)29-22-24-10-20(31-22)17-9-19(30-26-17)13(3)25-21(27)14-4-5-14/h6-10,12-14H,4-5,11H2,1-3H3,(H,25,27)
InChIKeyZDTSGNBZMJLBRT-UHFFFAOYSA-N
MW461.97 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]cyclopropanecarboxamide

N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide (PubChem CID 23648605) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 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]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide
PubChem CID23648605
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC NameN-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)COc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)on3)s2)c(Cl)c1
InChIInChI=1S/C22H24ClN3O4S/c1-12(2)11-28-15-6-7-18(16(23)8-15)29-22-24-10-20(31-22)17-9-19(30-26-17)13(3)25-21(27)14-4-5-14/h6-10,12-14H,4-5,11H2,1-3H3,(H,25,27)
InChIKeyZDTSGNBZMJLBRT-UHFFFAOYSA-N
XLogP5.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
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]cyclopropanecarboxamide?
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]cyclopropanecarboxamide (CID 23648605) is N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide.
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]cyclopropanecarboxamide?
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]cyclopropanecarboxamide is CC(C)COc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)on3)s2)c(Cl)c1.
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]cyclopropanecarboxamide?
The InChIKey is ZDTSGNBZMJLBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-12(2)11-28-15-6-7-18(16(23)8-15)29-22-24-10-20(31-22)17-9-19(30-26-17)13(3)25-21(27)14-4-5-14/h6-10,12-14H,4-5,11H2,1-3H3,(H,25,27).
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]cyclopropanecarboxamide?
N-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 461.97 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]cyclopropanecarboxamide is sourced from PubChem (CID 23648605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).