1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C11H9Cl2N3O2 — CID 840580

IUPAC1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-4-10(16-18-6)15-11(17)14-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyJZYMICAMXHNNBK-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.93
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 840580) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID840580
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-4-10(16-18-6)15-11(17)14-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyJZYMICAMXHNNBK-UHFFFAOYSA-N
XLogP3.93
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(5-methylisoxazol-3-YL)urea
CID 99331
1-(4-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383719
N-[5-(tert-butyl)-3-isoxazolyl]-N'-(2,4-dichlorophenyl)urea
CID 2813559
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-3-isoxazolyl)urea
CID 971773
1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 975701
1-(3-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 24818583
1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 290471
ST50937041
CID 2093609
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea
CID 2813560
1-(2,4-Dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6469017
1-(5-Chloro-2-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 310661
1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-chlorophenyl)urea
CID 6468384

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 840580) is 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is JZYMICAMXHNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-6-4-10(16-18-6)15-11(17)14-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 286.12 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 840580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).