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

C10H7Cl2N3O2 — CID 2093609

IUPAC1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccon1
InChIInChI=1S/C10H7Cl2N3O2/c11-7-2-1-6(5-8(7)12)13-10(16)14-9-3-4-17-15-9/h1-5H,(H2,13,14,15,16)
InChIKeyLSKZDQMPCSMAOG-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.63
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 2093609) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID2093609
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccon1
InChIInChI=1S/C10H7Cl2N3O2/c11-7-2-1-6(5-8(7)12)13-10(16)14-9-3-4-17-15-9/h1-5H,(H2,13,14,15,16)
InChIKeyLSKZDQMPCSMAOG-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

1-(4-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383719
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
AK-968/40384983
CID 840580
1-(2,4-Dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6469017
1-(5-tert-Butyl-isoxazol-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 10359123
1-(2,3-Dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 970027
1-(2,5-Dichlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465963
1-(3-Chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465990
1-(2,4-Difluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383407

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea (CID 2093609) is 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccon1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is LSKZDQMPCSMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-7-2-1-6(5-8(7)12)13-10(16)14-9-3-4-17-15-9/h1-5H,(H2,13,14,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea?
1-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-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-(3,4-dichlorophenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 2093609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).