1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea

C20H20FN3O2 — CID 42822588

IUPAC1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1cc(-c2ccc(F)cc2)on1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-14(2)24(20(25)22-17-6-4-3-5-7-17)13-18-12-19(26-23-18)15-8-10-16(21)11-9-15/h3-12,14H,13H2,1-2H3,(H,22,25)
InChIKeyJPVUOFDTHXQTIT-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.92
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea

1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea (PubChem CID 42822588) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea
PubChem CID42822588
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1cc(-c2ccc(F)cc2)on1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-14(2)24(20(25)22-17-6-4-3-5-7-17)13-18-12-19(26-23-18)15-8-10-16(21)11-9-15/h3-12,14H,13H2,1-2H3,(H,22,25)
InChIKeyJPVUOFDTHXQTIT-UHFFFAOYSA-N
XLogP4.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea (CID 42822588) is 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea is CC(C)N(Cc1cc(-c2ccc(F)cc2)on1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea?
The InChIKey is JPVUOFDTHXQTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(2)24(20(25)22-17-6-4-3-5-7-17)13-18-12-19(26-23-18)15-8-10-16(21)11-9-15/h3-12,14H,13H2,1-2H3,(H,22,25).
What are the key properties of 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea?
1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea has a molecular weight of 353.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 42822588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).