1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C15H11F3N2O2S — CID 42063591

IUPAC1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1oc(-c2cccs2)nc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H11F3N2O2S/c1-9-11(19-14(22-9)12-3-2-6-23-12)8-20-7-10(15(16,17)18)4-5-13(20)21/h2-7H,8H2,1H3
InChIKeyQIGDRYPTIIDSJK-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.94
Rot. Bonds3

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

1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 42063591) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID42063591
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1oc(-c2cccs2)nc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H11F3N2O2S/c1-9-11(19-14(22-9)12-3-2-6-23-12)8-20-7-10(15(16,17)18)4-5-13(20)21/h2-7H,8H2,1H3
InChIKeyQIGDRYPTIIDSJK-UHFFFAOYSA-N
XLogP3.94
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 42063591) is 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is Cc1oc(-c2cccs2)nc1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QIGDRYPTIIDSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-9-11(19-14(22-9)12-3-2-6-23-12)8-20-7-10(15(16,17)18)4-5-13(20)21/h2-7H,8H2,1H3.
What are the key properties of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 340.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 42063591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).