1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol

C19H22F3N5O2 — CID 175753992

IUPAC1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol
SMILESOC1CCN(Nc2ncc(C(F)(F)F)c(N3OCC[C@H]3c3ccccc3)n2)CC1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)15-12-23-18(25-26-9-6-14(28)7-10-26)24-17(15)27-16(8-11-29-27)13-4-2-1-3-5-13/h1-5,12,14,16,28H,6-11H2,(H,23,24,25)/t16-/m0/s1
InChIKeyHBIHFELLMWLARG-INIZCTEOSA-N
MW409.41 g/mol
LogP3.16
Rot. Bonds4

About 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol

1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol (PubChem CID 175753992) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol
PubChem CID175753992
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol
SMILESOC1CCN(Nc2ncc(C(F)(F)F)c(N3OCC[C@H]3c3ccccc3)n2)CC1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)15-12-23-18(25-26-9-6-14(28)7-10-26)24-17(15)27-16(8-11-29-27)13-4-2-1-3-5-13/h1-5,12,14,16,28H,6-11H2,(H,23,24,25)/t16-/m0/s1
InChIKeyHBIHFELLMWLARG-INIZCTEOSA-N
XLogP3.16
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol?
The IUPAC name of 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol (CID 175753992) is 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol?
The canonical SMILES for 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol is OC1CCN(Nc2ncc(C(F)(F)F)c(N3OCC[C@H]3c3ccccc3)n2)CC1.
What is the InChIKey of 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol?
The InChIKey is HBIHFELLMWLARG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c20-19(21,22)15-12-23-18(25-26-9-6-14(28)7-10-26)24-17(15)27-16(8-11-29-27)13-4-2-1-3-5-13/h1-5,12,14,16,28H,6-11H2,(H,23,24,25)/t16-/m0/s1.
What are the key properties of 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol?
1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol has a molecular weight of 409.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol is sourced from PubChem (CID 175753992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).