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

C15H17FN2O — CID 106368996

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCc1cnc(CNC2CCc3c(F)cccc32)o1
InChIInChI=1S/C15H17FN2O/c1-2-10-8-18-15(19-10)9-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,8,14,17H,2,6-7,9H2,1H3
InChIKeyWEHKKAHPNOMRGE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.15
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 106368996) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID106368996
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCc1cnc(CNC2CCc3c(F)cccc32)o1
InChIInChI=1S/C15H17FN2O/c1-2-10-8-18-15(19-10)9-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,8,14,17H,2,6-7,9H2,1H3
InChIKeyWEHKKAHPNOMRGE-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 52586784
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928366
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928368
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
(1S)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97334742
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 137985779
5-Tert-butyl-2-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45914266
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 47056587
5-tert-butyl-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 51964312
5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 51964314
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 52477479

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 106368996) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCc1cnc(CNC2CCc3c(F)cccc32)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WEHKKAHPNOMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-10-8-18-15(19-10)9-17-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,8,14,17H,2,6-7,9H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(5-ethyl-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 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106368996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).