1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea

C23H16N6O3 — CID 143654279

IUPAC1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1ncc(-c2cccnc2)o1
InChIInChI=1S/C23H16N6O3/c30-22(29-23-25-13-20(32-23)15-4-3-11-24-12-15)28-16-7-9-17(10-8-16)31-21-18-5-1-2-6-19(18)26-14-27-21/h1-14H,(H2,25,28,29,30)
InChIKeyCKCFJVXVNLQTGA-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.12
Rot. Bonds5

About 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea

1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea (PubChem CID 143654279) has the molecular formula C23H16N6O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea
PubChem CID143654279
Molecular FormulaC23H16N6O3
Molecular Weight424.42 g/mol
Exact Mass424.13
IUPAC Name1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1ncc(-c2cccnc2)o1
InChIInChI=1S/C23H16N6O3/c30-22(29-23-25-13-20(32-23)15-4-3-11-24-12-15)28-16-7-9-17(10-8-16)31-21-18-5-1-2-6-19(18)26-14-27-21/h1-14H,(H2,25,28,29,30)
InChIKeyCKCFJVXVNLQTGA-UHFFFAOYSA-N
XLogP5.12
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea?
The IUPAC name of 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea (CID 143654279) is 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea is O=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1ncc(-c2cccnc2)o1.
What is the InChIKey of 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea?
The InChIKey is CKCFJVXVNLQTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O3/c30-22(29-23-25-13-20(32-23)15-4-3-11-24-12-15)28-16-7-9-17(10-8-16)31-21-18-5-1-2-6-19(18)26-14-27-21/h1-14H,(H2,25,28,29,30).
What are the key properties of 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea?
1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea has a molecular weight of 424.42 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea is sourced from PubChem (CID 143654279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).