(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone

C17H17F3N2O2S — CID 18374275

IUPAC(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCSc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)nc1C(C)C
InChIInChI=1S/C17H17F3N2O2S/c1-8(2)13-10(6-7-11(21-13)17(18,19)20)14(23)12-15(9-4-5-9)24-22-16(12)25-3/h6-9H,4-5H2,1-3H3
InChIKeyYUSOHIRJHXITQD-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.04
Rot. Bonds5

About (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone

(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 18374275) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID18374275
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCSc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)nc1C(C)C
InChIInChI=1S/C17H17F3N2O2S/c1-8(2)13-10(6-7-11(21-13)17(18,19)20)14(23)12-15(9-4-5-9)24-22-16(12)25-3/h6-9H,4-5H2,1-3H3
InChIKeyYUSOHIRJHXITQD-UHFFFAOYSA-N
XLogP5.04
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 18374275) is (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone is CSc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)nc1C(C)C.
What is the InChIKey of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is YUSOHIRJHXITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-8(2)13-10(6-7-11(21-13)17(18,19)20)14(23)12-15(9-4-5-9)24-22-16(12)25-3/h6-9H,4-5H2,1-3H3.
What are the key properties of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 370.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 18374275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).