(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide

C14H13F3N2O2S — CID 97243557

IUPAC(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide
SMILESC[C@@H](SCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(N)=O
InChIInChI=1S/C14H13F3N2O2S/c1-8(12(18)20)22-7-11-6-21-13(19-11)9-2-4-10(5-3-9)14(15,16)17/h2-6,8H,7H2,1H3,(H2,18,20)/t8-/m1/s1
InChIKeyYCVUXMLORKKMMC-MRVPVSSYSA-N
MW330.33 g/mol
LogP3.47
Rot. Bonds5

About (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide

(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide (PubChem CID 97243557) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide
PubChem CID97243557
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide
SMILESC[C@@H](SCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(N)=O
InChIInChI=1S/C14H13F3N2O2S/c1-8(12(18)20)22-7-11-6-21-13(19-11)9-2-4-10(5-3-9)14(15,16)17/h2-6,8H,7H2,1H3,(H2,18,20)/t8-/m1/s1
InChIKeyYCVUXMLORKKMMC-MRVPVSSYSA-N
XLogP3.47
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide?
The IUPAC name of (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide (CID 97243557) is (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide.
What is the SMILES notation for (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide?
The canonical SMILES for (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide is C[C@@H](SCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(N)=O.
What is the InChIKey of (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide?
The InChIKey is YCVUXMLORKKMMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-8(12(18)20)22-7-11-6-21-13(19-11)9-2-4-10(5-3-9)14(15,16)17/h2-6,8H,7H2,1H3,(H2,18,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide?
(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide has a molecular weight of 330.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 97243557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).