N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H17FN2O — CID 106370514

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CNC2CCc3c(F)cccc32)oc1C
InChIInChI=1S/C15H17FN2O/c1-9-10(2)19-15(18-9)8-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14,17H,6-8H2,1-2H3
InChIKeyWDOXUGSERGKJEP-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.21
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 106370514) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID106370514
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CNC2CCc3c(F)cccc32)oc1C
InChIInChI=1S/C15H17FN2O/c1-9-10(2)19-15(18-9)8-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14,17H,6-8H2,1-2H3
InChIKeyWDOXUGSERGKJEP-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 106370514) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1nc(CNC2CCc3c(F)cccc32)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WDOXUGSERGKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-9-10(2)19-15(18-9)8-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14,17H,6-8H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 260.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106370514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).