4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C13H13FN2O — CID 79502117

IUPAC4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1ccon1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-2-11-10(12)4-5-13(11)15-8-9-6-7-17-16-9/h1-3,6-7,13,15H,4-5,8H2
InChIKeyZFTZBZCLOPUZSR-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.59
Rot. Bonds3

About 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79502117) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79502117
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1ccon1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-2-11-10(12)4-5-13(11)15-8-9-6-7-17-16-9/h1-3,6-7,13,15H,4-5,8H2
InChIKeyZFTZBZCLOPUZSR-UHFFFAOYSA-N
XLogP2.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 79502117) is 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCc1ccon1.
What is the InChIKey of 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZFTZBZCLOPUZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-3-1-2-11-10(12)4-5-13(11)15-8-9-6-7-17-16-9/h1-3,6-7,13,15H,4-5,8H2.
What are the key properties of 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 232.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79502117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).