1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea

C11H7ClF3N3O2 — CID 108811856

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C11H7ClF3N3O2/c12-8-2-1-6(5-7(8)11(13,14)15)16-10(19)17-9-3-4-20-18-9/h1-5H,(H2,16,17,18,19)
InChIKeyCLHVQRPHJBRDKS-UHFFFAOYSA-N
MW305.64 g/mol
LogP3.99
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811856) has the molecular formula C11H7ClF3N3O2 and a molecular weight of 305.64 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
PubChem CID108811856
Molecular FormulaC11H7ClF3N3O2
Molecular Weight305.64 g/mol
Exact Mass305.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C11H7ClF3N3O2/c12-8-2-1-6(5-7(8)11(13,14)15)16-10(19)17-9-3-4-20-18-9/h1-5H,(H2,16,17,18,19)
InChIKeyCLHVQRPHJBRDKS-UHFFFAOYSA-N
XLogP3.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea (CID 108811856) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccon1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is CLHVQRPHJBRDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2/c12-8-2-1-6(5-7(8)11(13,14)15)16-10(19)17-9-3-4-20-18-9/h1-5H,(H2,16,17,18,19).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 305.64 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).