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

C15H17F3N4O3 — CID 97273170

IUPAC1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCC(C)c1nnc([C@@H](C)NC(=O)Nc2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C15H17F3N4O3/c1-8(2)12-21-22-13(24-12)9(3)19-14(23)20-10-6-4-5-7-11(10)25-15(16,17)18/h4-9H,1-3H3,(H2,19,20,23)/t9-/m1/s1
InChIKeyHIAIZQAWFHQXCE-SECBINFHSA-N
MW358.32 g/mol
LogP3.97
Rot. Bonds5

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

1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 97273170) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID97273170
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCC(C)c1nnc([C@@H](C)NC(=O)Nc2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C15H17F3N4O3/c1-8(2)12-21-22-13(24-12)9(3)19-14(23)20-10-6-4-5-7-11(10)25-15(16,17)18/h4-9H,1-3H3,(H2,19,20,23)/t9-/m1/s1
InChIKeyHIAIZQAWFHQXCE-SECBINFHSA-N
XLogP3.97
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea (CID 97273170) is 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea is CC(C)c1nnc([C@@H](C)NC(=O)Nc2ccccc2OC(F)(F)F)o1.
What is the InChIKey of 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is HIAIZQAWFHQXCE-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c1-8(2)12-21-22-13(24-12)9(3)19-14(23)20-10-6-4-5-7-11(10)25-15(16,17)18/h4-9H,1-3H3,(H2,19,20,23)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 358.32 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 97273170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).