3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea

C18H24FN3O2 — CID 83281969

IUPAC3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea
SMILESCCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H24FN3O2/c1-5-10-22(17(23)20-18(2,3)4)12-15-11-16(24-21-15)13-6-8-14(19)9-7-13/h6-9,11H,5,10,12H2,1-4H3,(H,20,23)
InChIKeyKWBRJMOGHHTQTN-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.20
Rot. Bonds5

About 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea

3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea (PubChem CID 83281969) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea.

Molecular Properties

Compound Name3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea
PubChem CID83281969
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea
SMILESCCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H24FN3O2/c1-5-10-22(17(23)20-18(2,3)4)12-15-11-16(24-21-15)13-6-8-14(19)9-7-13/h6-9,11H,5,10,12H2,1-4H3,(H,20,23)
InChIKeyKWBRJMOGHHTQTN-UHFFFAOYSA-N
XLogP4.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea?
The IUPAC name of 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea (CID 83281969) is 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea.
What is the SMILES notation for 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea?
The canonical SMILES for 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea is CCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea?
The InChIKey is KWBRJMOGHHTQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-5-10-22(17(23)20-18(2,3)4)12-15-11-16(24-21-15)13-6-8-14(19)9-7-13/h6-9,11H,5,10,12H2,1-4H3,(H,20,23).
What are the key properties of 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea?
3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea has a molecular weight of 333.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea is sourced from PubChem (CID 83281969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).