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

C22H15BrFN3O2 — CID 46392821

IUPAC1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C22H15BrFN3O2/c23-16-8-11-19(18(24)12-16)27-22(28)25-17-9-6-15(7-10-17)21-26-20(13-29-21)14-4-2-1-3-5-14/h1-13H,(H2,25,27,28)
InChIKeyNNPITVQHZBXFEM-UHFFFAOYSA-N
MW452.28 g/mol
LogP6.55
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 46392821) has the molecular formula C22H15BrFN3O2 and a molecular weight of 452.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID46392821
Molecular FormulaC22H15BrFN3O2
Molecular Weight452.28 g/mol
Exact Mass451.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C22H15BrFN3O2/c23-16-8-11-19(18(24)12-16)27-22(28)25-17-9-6-15(7-10-17)21-26-20(13-29-21)14-4-2-1-3-5-14/h1-13H,(H2,25,27,28)
InChIKeyNNPITVQHZBXFEM-UHFFFAOYSA-N
XLogP6.55
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.28
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50835711
2-(3-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835517
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392848
2-(4-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835518
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
4-[(4-bromophenyl)carbamoylamino]-3-fluorobenzoic acid
CID 63190194

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea (CID 46392821) is 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea is O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is NNPITVQHZBXFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrFN3O2/c23-16-8-11-19(18(24)12-16)27-22(28)25-17-9-6-15(7-10-17)21-26-20(13-29-21)14-4-2-1-3-5-14/h1-13H,(H2,25,27,28).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 452.28 g/mol, XLogP of 6.55, 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-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 46392821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).