5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

C10H7F3N2O2 — CID 146424931

IUPAC5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c1-5-2-3-6(4-7(5)10(11,12)13)8-14-15-9(16)17-8/h2-4H,1H3,(H,15,16)
InChIKeyURMPSJXYQOACKS-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.36
Rot. Bonds1

About 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 146424931) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID146424931
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c1-5-2-3-6(4-7(5)10(11,12)13)8-14-15-9(16)17-8/h2-4H,1H3,(H,15,16)
InChIKeyURMPSJXYQOACKS-UHFFFAOYSA-N
XLogP2.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 146424931) is 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is Cc1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is URMPSJXYQOACKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-5-2-3-6(4-7(5)10(11,12)13)8-14-15-9(16)17-8/h2-4H,1H3,(H,15,16).
What are the key properties of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 244.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).