1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea

C17H13F2N3O2 — CID 23555728

IUPAC1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea
SMILESCc1ccccc1N(C(N)=O)c1nc(-c2ccc(F)cc2F)co1
InChIInChI=1S/C17H13F2N3O2/c1-10-4-2-3-5-15(10)22(16(20)23)17-21-14(9-24-17)12-7-6-11(18)8-13(12)19/h2-9H,1H3,(H2,20,23)
InChIKeyBQZFNPCEUHIEGT-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.15
Rot. Bonds3

About 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea

1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea (PubChem CID 23555728) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea
PubChem CID23555728
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea
SMILESCc1ccccc1N(C(N)=O)c1nc(-c2ccc(F)cc2F)co1
InChIInChI=1S/C17H13F2N3O2/c1-10-4-2-3-5-15(10)22(16(20)23)17-21-14(9-24-17)12-7-6-11(18)8-13(12)19/h2-9H,1H3,(H2,20,23)
InChIKeyBQZFNPCEUHIEGT-UHFFFAOYSA-N
XLogP4.15
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea (CID 23555728) is 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea is Cc1ccccc1N(C(N)=O)c1nc(-c2ccc(F)cc2F)co1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea?
The InChIKey is BQZFNPCEUHIEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-10-4-2-3-5-15(10)22(16(20)23)17-21-14(9-24-17)12-7-6-11(18)8-13(12)19/h2-9H,1H3,(H2,20,23).
What are the key properties of 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea?
1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea has a molecular weight of 329.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea is sourced from PubChem (CID 23555728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).