2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole

C12H10ClF3N2OS — CID 47393934

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CSc2ncc(C(F)(F)F)cc2Cl)oc1C
InChIInChI=1S/C12H10ClF3N2OS/c1-6-7(2)19-10(18-6)5-20-11-9(13)3-8(4-17-11)12(14,15)16/h3-4H,5H2,1-2H3
InChIKeyOXSUEFDBRROUQT-UHFFFAOYSA-N
MW322.74 g/mol
LogP4.65
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 47393934) has the molecular formula C12H10ClF3N2OS and a molecular weight of 322.74 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole
PubChem CID47393934
Molecular FormulaC12H10ClF3N2OS
Molecular Weight322.74 g/mol
Exact Mass322.02
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CSc2ncc(C(F)(F)F)cc2Cl)oc1C
InChIInChI=1S/C12H10ClF3N2OS/c1-6-7(2)19-10(18-6)5-20-11-9(13)3-8(4-17-11)12(14,15)16/h3-4H,5H2,1-2H3
InChIKeyOXSUEFDBRROUQT-UHFFFAOYSA-N
XLogP4.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole (CID 47393934) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CSc2ncc(C(F)(F)F)cc2Cl)oc1C.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is OXSUEFDBRROUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2OS/c1-6-7(2)19-10(18-6)5-20-11-9(13)3-8(4-17-11)12(14,15)16/h3-4H,5H2,1-2H3.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 322.74 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 47393934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).