1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

C16H13BrFN3O3 — CID 50796615

IUPAC1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C16H13BrFN3O3/c1-2-21-13-6-4-10(8-14(13)24-16(21)23)19-15(22)20-12-5-3-9(17)7-11(12)18/h3-8H,2H2,1H3,(H2,19,20,22)
InChIKeySFOONAGNCGSQPS-UHFFFAOYSA-N
MW394.20 g/mol
LogP4.16
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 50796615) has the molecular formula C16H13BrFN3O3 and a molecular weight of 394.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID50796615
Molecular FormulaC16H13BrFN3O3
Molecular Weight394.20 g/mol
Exact Mass393.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C16H13BrFN3O3/c1-2-21-13-6-4-10(8-14(13)24-16(21)23)19-15(22)20-12-5-3-9(17)7-11(12)18/h3-8H,2H2,1H3,(H2,19,20,22)
InChIKeySFOONAGNCGSQPS-UHFFFAOYSA-N
XLogP4.16
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422
3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
CID 50796693
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 50796615) is 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is CCn1c(=O)oc2cc(NC(=O)Nc3ccc(Br)cc3F)ccc21.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is SFOONAGNCGSQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O3/c1-2-21-13-6-4-10(8-14(13)24-16(21)23)19-15(22)20-12-5-3-9(17)7-11(12)18/h3-8H,2H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 394.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50796615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).