1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea

C15H15F3N4O3 — CID 136551115

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea
SMILESCCc1noc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)n1
InChIInChI=1S/C15H15F3N4O3/c1-2-11-19-13(25-22-11)20-12(23)21-14(6-7-14)9-4-3-5-10(8-9)24-15(16,17)18/h3-5,8H,2,6-7H2,1H3,(H2,19,20,21,22,23)
InChIKeyKYTKLYCFKOFJGY-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.34
Rot. Bonds5

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea (PubChem CID 136551115) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea
PubChem CID136551115
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea
SMILESCCc1noc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)n1
InChIInChI=1S/C15H15F3N4O3/c1-2-11-19-13(25-22-11)20-12(23)21-14(6-7-14)9-4-3-5-10(8-9)24-15(16,17)18/h3-5,8H,2,6-7H2,1H3,(H2,19,20,21,22,23)
InChIKeyKYTKLYCFKOFJGY-UHFFFAOYSA-N
XLogP3.34
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide
CID 126820035
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]propanamide
CID 139009041
[(3R)-3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 99757513
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138996285
N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 139009032
1-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)urea
CID 167874097
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
tert-butyl N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]cyclohexyl]carbamate
CID 139573428
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea
CID 166520281
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea (CID 136551115) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea is CCc1noc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
The InChIKey is KYTKLYCFKOFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-2-11-19-13(25-22-11)20-12(23)21-14(6-7-14)9-4-3-5-10(8-9)24-15(16,17)18/h3-5,8H,2,6-7H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea has a molecular weight of 356.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea is sourced from PubChem (CID 136551115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).