(2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C21H24F2N2O3 — CID 51029669

IUPAC(2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCCC(F)(F)c1cc(=O)nc2n1C[C@@H](COc1ccc3c(c1)CCC3(C)C)O2
InChIInChI=1S/C21H24F2N2O3/c1-4-21(22,23)17-10-18(26)24-19-25(17)11-15(28-19)12-27-14-5-6-16-13(9-14)7-8-20(16,2)3/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyXVJCHJSPHQPFDC-HNNXBMFYSA-N
MW390.43 g/mol
LogP3.81
Rot. Bonds5

About (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

(2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 51029669) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID51029669
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name(2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCCC(F)(F)c1cc(=O)nc2n1C[C@@H](COc1ccc3c(c1)CCC3(C)C)O2
InChIInChI=1S/C21H24F2N2O3/c1-4-21(22,23)17-10-18(26)24-19-25(17)11-15(28-19)12-27-14-5-6-16-13(9-14)7-8-20(16,2)3/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyXVJCHJSPHQPFDC-HNNXBMFYSA-N
XLogP3.81
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 51029669) is (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CCC(F)(F)c1cc(=O)nc2n1C[C@@H](COc1ccc3c(c1)CCC3(C)C)O2.
What is the InChIKey of (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is XVJCHJSPHQPFDC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-4-21(22,23)17-10-18(26)24-19-25(17)11-15(28-19)12-27-14-5-6-16-13(9-14)7-8-20(16,2)3/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 390.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(1,1-difluoropropyl)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 51029669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).