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

C10H7Cl2N3O2 — CID 2744685

IUPAC1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-8(7(12)5-6)14-10(16)15-9-3-4-13-17-9/h1-5H,(H2,14,15,16)
InChIKeyDDEFDHBAPLUCLF-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.63
Rot. Bonds2

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

1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 2744685) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID2744685
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-8(7(12)5-6)14-10(16)15-9-3-4-13-17-9/h1-5H,(H2,14,15,16)
InChIKeyDDEFDHBAPLUCLF-UHFFFAOYSA-N
XLogP3.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-isoxazol-5-yl-N'-phenylurea
CID 2744683
1-(2,4-Dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6469017
1-(4-Chlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 2744686
N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
CID 2744429
1-(4-Fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814003
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814022
1-(2-Fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814054
1-(2,6-Difluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814064
1-(3-Chloro-4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814148
1-(3-Fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814177
1-[4-Chloro-2-(trifluoromethyl)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814185
1-(1,2-Oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108814211

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea (CID 2744685) is 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccno1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is DDEFDHBAPLUCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-6-1-2-8(7(12)5-6)14-10(16)15-9-3-4-13-17-9/h1-5H,(H2,14,15,16).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 272.09 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 2744685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).