3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine

C12H11FN2O — CID 117310740

IUPAC3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3c(cc2F)CCC3)no1
InChIInChI=1S/C12H11FN2O/c13-10-5-8-3-1-2-7(8)4-9(10)11-6-12(14)16-15-11/h4-6H,1-3,14H2
InChIKeyXHOIJBXQRFPNHR-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.55
Rot. Bonds1

About 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine

3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine (PubChem CID 117310740) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine
PubChem CID117310740
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3c(cc2F)CCC3)no1
InChIInChI=1S/C12H11FN2O/c13-10-5-8-3-1-2-7(8)4-9(10)11-6-12(14)16-15-11/h4-6H,1-3,14H2
InChIKeyXHOIJBXQRFPNHR-UHFFFAOYSA-N
XLogP2.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine (CID 117310740) is 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine is Nc1cc(-c2cc3c(cc2F)CCC3)no1.
What is the InChIKey of 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine?
The InChIKey is XHOIJBXQRFPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-5-8-3-1-2-7(8)4-9(10)11-6-12(14)16-15-11/h4-6H,1-3,14H2.
What are the key properties of 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine?
3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine has a molecular weight of 218.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117310740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).