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

C15H17F3N4O2S — CID 118795400

IUPAC1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
SMILESCC(C)c1nnc(C(C)NC(=O)Nc2cccc(SC(F)(F)F)c2)o1
InChIInChI=1S/C15H17F3N4O2S/c1-8(2)12-21-22-13(24-12)9(3)19-14(23)20-10-5-4-6-11(7-10)25-15(16,17)18/h4-9H,1-3H3,(H2,19,20,23)
InChIKeyRZEZCRISQFBOQQ-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.69
Rot. Bonds5

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

1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea (PubChem CID 118795400) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
PubChem CID118795400
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
SMILESCC(C)c1nnc(C(C)NC(=O)Nc2cccc(SC(F)(F)F)c2)o1
InChIInChI=1S/C15H17F3N4O2S/c1-8(2)12-21-22-13(24-12)9(3)19-14(23)20-10-5-4-6-11(7-10)25-15(16,17)18/h4-9H,1-3H3,(H2,19,20,23)
InChIKeyRZEZCRISQFBOQQ-UHFFFAOYSA-N
XLogP4.69
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 97446198
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea
CID 97277183
1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 97273170
1-(2,2-dimethoxyethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 3471027
1-[(4-methylsulfanylphenyl)methyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 3451199
1-(3-bromo-5-chlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 175721835
1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597
N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159606767
2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168524340
ethyl 4-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate
CID 3799100
1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110368299
N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393138

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea?
The IUPAC name of 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea (CID 118795400) is 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea.
What is the SMILES notation for 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea?
The canonical SMILES for 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea is CC(C)c1nnc(C(C)NC(=O)Nc2cccc(SC(F)(F)F)c2)o1.
What is the InChIKey of 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea?
The InChIKey is RZEZCRISQFBOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-8(2)12-21-22-13(24-12)9(3)19-14(23)20-10-5-4-6-11(7-10)25-15(16,17)18/h4-9H,1-3H3,(H2,19,20,23).
What are the key properties of 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea?
1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea has a molecular weight of 374.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea is sourced from PubChem (CID 118795400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).