(2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C18H19FN2O3 — CID 67053809

IUPAC(2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(Oc1cc2c(cc1F)CCC2)[C@@H]1Cn2ccc(=O)nc2O1
InChIInChI=1S/C18H19FN2O3/c1-18(2,15-10-21-7-6-16(22)20-17(21)23-15)24-14-9-12-5-3-4-11(12)8-13(14)19/h6-9,15H,3-5,10H2,1-2H3/t15-/m0/s1
InChIKeyFANYIJDTYNEXMF-HNNXBMFYSA-N
MW330.36 g/mol
LogP2.49
Rot. Bonds3

About (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

(2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 67053809) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID67053809
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(Oc1cc2c(cc1F)CCC2)[C@@H]1Cn2ccc(=O)nc2O1
InChIInChI=1S/C18H19FN2O3/c1-18(2,15-10-21-7-6-16(22)20-17(21)23-15)24-14-9-12-5-3-4-11(12)8-13(14)19/h6-9,15H,3-5,10H2,1-2H3/t15-/m0/s1
InChIKeyFANYIJDTYNEXMF-HNNXBMFYSA-N
XLogP2.49
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-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)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 67053809) is (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CC(C)(Oc1cc2c(cc1F)CCC2)[C@@H]1Cn2ccc(=O)nc2O1.
What is the InChIKey of (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is FANYIJDTYNEXMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2,15-10-21-7-6-16(22)20-17(21)23-15)24-14-9-12-5-3-4-11(12)8-13(14)19/h6-9,15H,3-5,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 330.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 67053809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).