(4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one

C14H16F3N3O3 — CID 171558723

IUPAC(4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)CCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O3/c1-8(2)9-7-23-13(22)20(9)12(21)4-3-11-18-6-5-10(19-11)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyGUSJUBUJSLEOHF-VIFPVBQESA-N
MW331.29 g/mol
LogP2.43
Rot. Bonds4

About (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one

(4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 171558723) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID171558723
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name(4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)CCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O3/c1-8(2)9-7-23-13(22)20(9)12(21)4-3-11-18-6-5-10(19-11)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyGUSJUBUJSLEOHF-VIFPVBQESA-N
XLogP2.43
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one (CID 171558723) is (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1C(=O)CCc1nccc(C(F)(F)F)n1.
What is the InChIKey of (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is GUSJUBUJSLEOHF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-8(2)9-7-23-13(22)20(9)12(21)4-3-11-18-6-5-10(19-11)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 331.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171558723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).