2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C17H18N2O2 — CID 70293188

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(CCc1ccc3c(c1)CCC3)C2
InChIInChI=1S/C17H18N2O2/c20-16-8-9-19-11-15(21-17(19)18-16)7-5-12-4-6-13-2-1-3-14(13)10-12/h4,6,8-10,15H,1-3,5,7,11H2
InChIKeyQZPQGOFZSGIRSA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.13
Rot. Bonds3

About 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 70293188) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID70293188
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(CCc1ccc3c(c1)CCC3)C2
InChIInChI=1S/C17H18N2O2/c20-16-8-9-19-11-15(21-17(19)18-16)7-5-12-4-6-13-2-1-3-14(13)10-12/h4,6,8-10,15H,1-3,5,7,11H2
InChIKeyQZPQGOFZSGIRSA-UHFFFAOYSA-N
XLogP2.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 70293188) is 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1ccn2c(n1)OC(CCc1ccc3c(c1)CCC3)C2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is QZPQGOFZSGIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-8-9-19-11-15(21-17(19)18-16)7-5-12-4-6-13-2-1-3-14(13)10-12/h4,6,8-10,15H,1-3,5,7,11H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 282.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 70293188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).