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

C17H13BrFN3O2 — CID 87007821

IUPAC1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H13BrFN3O2/c18-12-6-7-14(13(19)8-12)22-17(23)21-10-16-20-9-15(24-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,21,22,23)
InChIKeyXWZTVZSJOBCSGD-UHFFFAOYSA-N
MW390.21 g/mol
LogP4.56
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 87007821) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID87007821
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H13BrFN3O2/c18-12-6-7-14(13(19)8-12)22-17(23)21-10-16-20-9-15(24-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,21,22,23)
InChIKeyXWZTVZSJOBCSGD-UHFFFAOYSA-N
XLogP4.56
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (CID 87007821) is 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is O=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is XWZTVZSJOBCSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c18-12-6-7-14(13(19)8-12)22-17(23)21-10-16-20-9-15(24-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,21,22,23).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 390.21 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 87007821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).