1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea

C22H19N5O2 — CID 24830148

IUPAC1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)Nc2cncnc2C)cc1
InChIInChI=1S/C22H19N5O2/c1-14-3-4-17(21-24-9-10-29-21)11-19(14)16-5-7-18(8-6-16)26-22(28)27-20-12-23-13-25-15(20)2/h3-13H,1-2H3,(H2,26,27,28)
InChIKeyJYNUMIZTEPGETG-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.06
Rot. Bonds4

About 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea

1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea (PubChem CID 24830148) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea
PubChem CID24830148
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)Nc2cncnc2C)cc1
InChIInChI=1S/C22H19N5O2/c1-14-3-4-17(21-24-9-10-29-21)11-19(14)16-5-7-18(8-6-16)26-22(28)27-20-12-23-13-25-15(20)2/h3-13H,1-2H3,(H2,26,27,28)
InChIKeyJYNUMIZTEPGETG-UHFFFAOYSA-N
XLogP5.06
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea?
The IUPAC name of 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea (CID 24830148) is 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea?
The canonical SMILES for 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)Nc2cncnc2C)cc1.
What is the InChIKey of 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea?
The InChIKey is JYNUMIZTEPGETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14-3-4-17(21-24-9-10-29-21)11-19(14)16-5-7-18(8-6-16)26-22(28)27-20-12-23-13-25-15(20)2/h3-13H,1-2H3,(H2,26,27,28).
What are the key properties of 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea?
1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea has a molecular weight of 385.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(4-methylpyrimidin-5-yl)urea is sourced from PubChem (CID 24830148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).