3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C14H10F3N3OS — CID 146291114

IUPAC3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1ccc(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)nc1
InChIInChI=1S/C14H10F3N3OS/c1-8-2-3-9(18-7-8)6-10-4-5-11(22-10)12-19-13(21-20-12)14(15,16)17/h2-5,7H,6H2,1H3
InChIKeyMKVHFXBSSXWRHM-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.11
Rot. Bonds3

About 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 146291114) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID146291114
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1ccc(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)nc1
InChIInChI=1S/C14H10F3N3OS/c1-8-2-3-9(18-7-8)6-10-4-5-11(22-10)12-19-13(21-20-12)14(15,16)17/h2-5,7H,6H2,1H3
InChIKeyMKVHFXBSSXWRHM-UHFFFAOYSA-N
XLogP4.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 146291114) is 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Cc1ccc(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)nc1.
What is the InChIKey of 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is MKVHFXBSSXWRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-8-2-3-9(18-7-8)6-10-4-5-11(22-10)12-19-13(21-20-12)14(15,16)17/h2-5,7H,6H2,1H3.
What are the key properties of 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 325.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-methyl-2-pyridinyl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 146291114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).