1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea

C19H22N4O4S — CID 23648580

IUPAC1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea
SMILESCNC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1
InChIInChI=1S/C19H22N4O4S/c1-11(2)25-13-5-7-14(8-6-13)26-19-21-10-17(28-19)15-9-16(27-23-15)12(3)22-18(24)20-4/h5-12H,1-4H3,(H2,20,22,24)
InChIKeyWNYKGTYORDVYIN-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.37
Rot. Bonds7

About 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea

1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea (PubChem CID 23648580) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea
PubChem CID23648580
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea
SMILESCNC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1
InChIInChI=1S/C19H22N4O4S/c1-11(2)25-13-5-7-14(8-6-13)26-19-21-10-17(28-19)15-9-16(27-23-15)12(3)22-18(24)20-4/h5-12H,1-4H3,(H2,20,22,24)
InChIKeyWNYKGTYORDVYIN-UHFFFAOYSA-N
XLogP4.37
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea?
The IUPAC name of 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea (CID 23648580) is 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea.
What is the SMILES notation for 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea?
The canonical SMILES for 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea is CNC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1.
What is the InChIKey of 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea?
The InChIKey is WNYKGTYORDVYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-11(2)25-13-5-7-14(8-6-13)26-19-21-10-17(28-19)15-9-16(27-23-15)12(3)22-18(24)20-4/h5-12H,1-4H3,(H2,20,22,24).
What are the key properties of 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea?
1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea has a molecular weight of 402.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]urea is sourced from PubChem (CID 23648580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).