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

C19H18ClN3O4S — CID 23648641

IUPACN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)on3)s2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O4S/c1-10(22-18(24)11-3-4-11)16-8-14(23-27-16)17-9-21-19(28-17)26-15-6-5-12(25-2)7-13(15)20/h5-11H,3-4H2,1-2H3,(H,22,24)
InChIKeyZKCGGQDACKECPR-UHFFFAOYSA-N
MW419.89 g/mol
LogP4.84
Rot. Bonds7

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

N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide (PubChem CID 23648641) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 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]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide
PubChem CID23648641
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC NameN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(Oc2ncc(-c3cc(C(C)NC(=O)C4CC4)on3)s2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O4S/c1-10(22-18(24)11-3-4-11)16-8-14(23-27-16)17-9-21-19(28-17)26-15-6-5-12(25-2)7-13(15)20/h5-11H,3-4H2,1-2H3,(H,22,24)
InChIKeyZKCGGQDACKECPR-UHFFFAOYSA-N
XLogP4.84
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 54.84
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]cyclopropanecarboxamide?
The IUPAC name of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide (CID 23648641) is N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-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-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide is 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-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is ZKCGGQDACKECPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-10(22-18(24)11-3-4-11)16-8-14(23-27-16)17-9-21-19(28-17)26-15-6-5-12(25-2)7-13(15)20/h5-11H,3-4H2,1-2H3,(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]cyclopropanecarboxamide?
N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 419.89 g/mol, XLogP of 4.84, 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]cyclopropanecarboxamide is sourced from PubChem (CID 23648641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).