[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone

C12H8F3NO2 — CID 56930141

IUPAC[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone
SMILESCc1nc(C(F)(F)F)oc1C(=O)c1ccccc1
InChIInChI=1S/C12H8F3NO2/c1-7-10(18-11(16-7)12(13,14)15)9(17)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeySRHVNUFCLASVEK-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.23
Rot. Bonds2

About [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone

[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone (PubChem CID 56930141) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone
PubChem CID56930141
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone
SMILESCc1nc(C(F)(F)F)oc1C(=O)c1ccccc1
InChIInChI=1S/C12H8F3NO2/c1-7-10(18-11(16-7)12(13,14)15)9(17)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeySRHVNUFCLASVEK-UHFFFAOYSA-N
XLogP3.23
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone?
The IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone (CID 56930141) is [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone is Cc1nc(C(F)(F)F)oc1C(=O)c1ccccc1.
What is the InChIKey of [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone?
The InChIKey is SRHVNUFCLASVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-7-10(18-11(16-7)12(13,14)15)9(17)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone?
[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone has a molecular weight of 255.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone is sourced from PubChem (CID 56930141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).