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

C18H20N4O4S — CID 23648579

IUPAC1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(N)=O)on3)s2)cc1
InChIInChI=1S/C18H20N4O4S/c1-10(2)24-12-4-6-13(7-5-12)25-18-20-9-16(27-18)14-8-15(26-22-14)11(3)21-17(19)23/h4-11H,1-3H3,(H3,19,21,23)
InChIKeyGUQIBMNIDZNLKC-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.11
Rot. Bonds7

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

1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea (PubChem CID 23648579) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea.

Molecular Properties

Compound Name1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea
PubChem CID23648579
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(N)=O)on3)s2)cc1
InChIInChI=1S/C18H20N4O4S/c1-10(2)24-12-4-6-13(7-5-12)25-18-20-9-16(27-18)14-8-15(26-22-14)11(3)21-17(19)23/h4-11H,1-3H3,(H3,19,21,23)
InChIKeyGUQIBMNIDZNLKC-UHFFFAOYSA-N
XLogP4.11
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
The IUPAC name of 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea (CID 23648579) is 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea.
What is the SMILES notation for 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
The canonical SMILES for 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea is CC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(N)=O)on3)s2)cc1.
What is the InChIKey of 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
The InChIKey is GUQIBMNIDZNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10(2)24-12-4-6-13(7-5-12)25-18-20-9-16(27-18)14-8-15(26-22-14)11(3)21-17(19)23/h4-11H,1-3H3,(H3,19,21,23).
What are the key properties of 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea has a molecular weight of 388.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea is sourced from PubChem (CID 23648579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).