1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea

C15H13F4N3O3 — CID 165119473

IUPAC1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea
SMILESO=C(NCc1cc(-c2cc(F)cc(OC(F)(F)F)c2)no1)NC1CC1
InChIInChI=1S/C15H13F4N3O3/c16-9-3-8(4-11(5-9)24-15(17,18)19)13-6-12(25-22-13)7-20-14(23)21-10-1-2-10/h3-6,10H,1-2,7H2,(H2,20,21,23)
InChIKeyMUZCYOQIRJKYSD-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.34
Rot. Bonds5

About 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea

1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea (PubChem CID 165119473) has the molecular formula C15H13F4N3O3 and a molecular weight of 359.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea
PubChem CID165119473
Molecular FormulaC15H13F4N3O3
Molecular Weight359.28 g/mol
Exact Mass359.09
IUPAC Name1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea
SMILESO=C(NCc1cc(-c2cc(F)cc(OC(F)(F)F)c2)no1)NC1CC1
InChIInChI=1S/C15H13F4N3O3/c16-9-3-8(4-11(5-9)24-15(17,18)19)13-6-12(25-22-13)7-20-14(23)21-10-1-2-10/h3-6,10H,1-2,7H2,(H2,20,21,23)
InChIKeyMUZCYOQIRJKYSD-UHFFFAOYSA-N
XLogP3.34
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea (CID 165119473) is 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea is O=C(NCc1cc(-c2cc(F)cc(OC(F)(F)F)c2)no1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is MUZCYOQIRJKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O3/c16-9-3-8(4-11(5-9)24-15(17,18)19)13-6-12(25-22-13)7-20-14(23)21-10-1-2-10/h3-6,10H,1-2,7H2,(H2,20,21,23).
What are the key properties of 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea?
1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 359.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 165119473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).