3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea

C14H11FN4O3S — CID 177198519

IUPAC3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea
SMILESCN(C(=O)Nc1ncc(Oc2cccc(F)c2)s1)c1ncco1
InChIInChI=1S/C14H11FN4O3S/c1-19(14-16-5-6-21-14)13(20)18-12-17-8-11(23-12)22-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,17,18,20)
InChIKeyINRYSUXPOFTUTO-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.73
Rot. Bonds4

About 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea

3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea (PubChem CID 177198519) has the molecular formula C14H11FN4O3S and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea
PubChem CID177198519
Molecular FormulaC14H11FN4O3S
Molecular Weight334.33 g/mol
Exact Mass334.05
IUPAC Name3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea
SMILESCN(C(=O)Nc1ncc(Oc2cccc(F)c2)s1)c1ncco1
InChIInChI=1S/C14H11FN4O3S/c1-19(14-16-5-6-21-14)13(20)18-12-17-8-11(23-12)22-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,17,18,20)
InChIKeyINRYSUXPOFTUTO-UHFFFAOYSA-N
XLogP3.73
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea?
The IUPAC name of 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea (CID 177198519) is 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea is CN(C(=O)Nc1ncc(Oc2cccc(F)c2)s1)c1ncco1.
What is the InChIKey of 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea?
The InChIKey is INRYSUXPOFTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3S/c1-19(14-16-5-6-21-14)13(20)18-12-17-8-11(23-12)22-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,17,18,20).
What are the key properties of 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea?
3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea has a molecular weight of 334.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 177198519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).