(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one

C16H15F3N4O2 — CID 90342888

IUPAC(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-10(16(17,18)19)21-14-20-8-7-13(22-14)23-12(9-25-15(23)24)11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,20,21,22)/t10?,12-/m1/s1
InChIKeyVMUSKNFYMVIPRG-TVKKRMFBSA-N
MW352.32 g/mol
LogP3.54
Rot. Bonds4

About (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90342888) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90342888
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-10(16(17,18)19)21-14-20-8-7-13(22-14)23-12(9-25-15(23)24)11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,20,21,22)/t10?,12-/m1/s1
InChIKeyVMUSKNFYMVIPRG-TVKKRMFBSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
CID 89489740
(4S)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89489727
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490002
3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 130285227
3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 123897635
(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490052
4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123835719
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
4-propan-2-yl-3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 167003976
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490063
(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489720
(4S)-3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273182

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90342888) is (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)C(F)(F)F.
What is the InChIKey of (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is VMUSKNFYMVIPRG-TVKKRMFBSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-10(16(17,18)19)21-14-20-8-7-13(22-14)23-12(9-25-15(23)24)11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,20,21,22)/t10?,12-/m1/s1.
What are the key properties of (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 352.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90342888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).