1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C16H14BrN3O3 — CID 71899906

IUPAC1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)no1
InChIInChI=1S/C16H14BrN3O3/c1-10-8-15(20-23-10)19-16(21)18-9-13-6-7-14(22-13)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H2,18,19,20,21)
InChIKeyKMJQEZPDUUMZIU-UHFFFAOYSA-N
MW376.21 g/mol
LogP4.33
Rot. Bonds4

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

1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 71899906) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID71899906
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)no1
InChIInChI=1S/C16H14BrN3O3/c1-10-8-15(20-23-10)19-16(21)18-9-13-6-7-14(22-13)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H2,18,19,20,21)
InChIKeyKMJQEZPDUUMZIU-UHFFFAOYSA-N
XLogP4.33
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9296230
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]urea
CID 71940753
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 9204148
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17335241
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 71899906) is 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)no1.
What is the InChIKey of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is KMJQEZPDUUMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10-8-15(20-23-10)19-16(21)18-9-13-6-7-14(22-13)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 376.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 71899906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).