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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Related Compounds

(3R)-3-[acetyl(cyclopropyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide
CID 170731652
dicyclopropyl-[1-(methylcarbamoyl)piperidin-3-yl]-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methylcarbamoyl]azanium
CID 165119739
(3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide
CID 170731629
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125173596
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 122557570
1-(3,5-dimethyl-1-adamantyl)-3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]urea
CID 122195471
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91795512
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine
CID 142679914
1-cyclohexyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415590
2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815946
4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012217
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959

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).