2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C18H19FN2O3 — CID 75600507

IUPAC2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC1(C)CCc2cc(OCC3Cn4ccc(=O)nc4O3)c(F)cc21
InChIInChI=1S/C18H19FN2O3/c1-18(2)5-3-11-7-15(14(19)8-13(11)18)23-10-12-9-21-6-4-16(22)20-17(21)24-12/h4,6-8,12H,3,5,9-10H2,1-2H3
InChIKeyQESGGUZPQSKWFP-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.45
Rot. Bonds3

About 2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 75600507) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID75600507
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC1(C)CCc2cc(OCC3Cn4ccc(=O)nc4O3)c(F)cc21
InChIInChI=1S/C18H19FN2O3/c1-18(2)5-3-11-7-15(14(19)8-13(11)18)23-10-12-9-21-6-4-16(22)20-17(21)24-12/h4,6-8,12H,3,5,9-10H2,1-2H3
InChIKeyQESGGUZPQSKWFP-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-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 2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 75600507) is 2-[(6-fluoro-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 2-[(6-fluoro-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 2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CC1(C)CCc2cc(OCC3Cn4ccc(=O)nc4O3)c(F)cc21.
What is the InChIKey of 2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is QESGGUZPQSKWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2)5-3-11-7-15(14(19)8-13(11)18)23-10-12-9-21-6-4-16(22)20-17(21)24-12/h4,6-8,12H,3,5,9-10H2,1-2H3.
What are the key properties of 2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[(6-fluoro-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 330.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-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 75600507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).