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

C11H9Cl2N3O2 — CID 6467048

IUPAC1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-2-10(16-18-6)15-11(17)14-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H2,14,15,16,17)
InChIKeySWNGXWLWHWUVJQ-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.93
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 6467048) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID6467048
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-2-10(16-18-6)15-11(17)14-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H2,14,15,16,17)
InChIKeySWNGXWLWHWUVJQ-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-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869783
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270635
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246348
5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide
CID 143051989
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 6467048) is 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is SWNGXWLWHWUVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-6-2-10(16-18-6)15-11(17)14-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(3,5-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-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 6467048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).