1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea

C15H16FN3O3 — CID 167971400

IUPAC1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1cc(-c2ccc(F)cc2)on1)N(CCO)C1CC1
InChIInChI=1S/C15H16FN3O3/c16-11-3-1-10(2-4-11)13-9-14(18-22-13)17-15(21)19(7-8-20)12-5-6-12/h1-4,9,12,20H,5-8H2,(H,17,18,21)
InChIKeySPFFPUPOCJRCPI-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.47
Rot. Bonds5

About 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea (PubChem CID 167971400) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea
PubChem CID167971400
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1cc(-c2ccc(F)cc2)on1)N(CCO)C1CC1
InChIInChI=1S/C15H16FN3O3/c16-11-3-1-10(2-4-11)13-9-14(18-22-13)17-15(21)19(7-8-20)12-5-6-12/h1-4,9,12,20H,5-8H2,(H,17,18,21)
InChIKeySPFFPUPOCJRCPI-UHFFFAOYSA-N
XLogP2.47
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea (CID 167971400) is 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea is O=C(Nc1cc(-c2ccc(F)cc2)on1)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea?
The InChIKey is SPFFPUPOCJRCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-11-3-1-10(2-4-11)13-9-14(18-22-13)17-15(21)19(7-8-20)12-5-6-12/h1-4,9,12,20H,5-8H2,(H,17,18,21).
What are the key properties of 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea has a molecular weight of 305.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 167971400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).