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

C14H15Cl2N3O2 — CID 2813559

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(2,3)11-7-12(19-21-11)18-13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyATDJLKUEHBBRRV-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.92
Rot. Bonds2

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea (PubChem CID 2813559) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea
PubChem CID2813559
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(2,3)11-7-12(19-21-11)18-13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyATDJLKUEHBBRRV-UHFFFAOYSA-N
XLogP4.92
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383719
ST50939513
CID 2813558
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-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
CID 6467399
1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 290471
AK-968/40384983
CID 840580
N-(5-tert-butyl-3-isoxazolyl)-N'-(2,4-difluorophenyl)urea
CID 735913
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea (CID 2813559) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea?
The InChIKey is ATDJLKUEHBBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-14(2,3)11-7-12(19-21-11)18-13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea has a molecular weight of 328.20 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 2813559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).