1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea

C16H18FN3O2 — CID 150733210

IUPAC1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1ccno1)C1CCCC1
InChIInChI=1S/C16H18FN3O2/c17-12-5-7-13(8-6-12)19-16(21)20(14-3-1-2-4-14)11-15-9-10-18-22-15/h5-10,14H,1-4,11H2,(H,19,21)
InChIKeyJSGSOMVZVORXFL-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.79
Rot. Bonds4

About 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea

1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea (PubChem CID 150733210) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
PubChem CID150733210
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1ccno1)C1CCCC1
InChIInChI=1S/C16H18FN3O2/c17-12-5-7-13(8-6-12)19-16(21)20(14-3-1-2-4-14)11-15-9-10-18-22-15/h5-10,14H,1-4,11H2,(H,19,21)
InChIKeyJSGSOMVZVORXFL-UHFFFAOYSA-N
XLogP3.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea (CID 150733210) is 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea is O=C(Nc1ccc(F)cc1)N(Cc1ccno1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
The InChIKey is JSGSOMVZVORXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-12-5-7-13(8-6-12)19-16(21)20(14-3-1-2-4-14)11-15-9-10-18-22-15/h5-10,14H,1-4,11H2,(H,19,21).
What are the key properties of 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea has a molecular weight of 303.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea is sourced from PubChem (CID 150733210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).