N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine

C17H21FN4O — CID 128990481

IUPACN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC2Cc3ccccc3C2)o1
InChIInChI=1S/C17H21FN4O/c1-11-20-21-17(23-11)22-10-14(18)8-16(22)9-19-15-6-12-4-2-3-5-13(12)7-15/h2-5,14-16,19H,6-10H2,1H3/t14-,16-/m0/s1
InChIKeyHGZNQVZCGFGPPT-HOCLYGCPSA-N
MW316.38 g/mol
LogP2.05
Rot. Bonds4

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

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 128990481) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID128990481
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC2Cc3ccccc3C2)o1
InChIInChI=1S/C17H21FN4O/c1-11-20-21-17(23-11)22-10-14(18)8-16(22)9-19-15-6-12-4-2-3-5-13(12)7-15/h2-5,14-16,19H,6-10H2,1H3/t14-,16-/m0/s1
InChIKeyHGZNQVZCGFGPPT-HOCLYGCPSA-N
XLogP2.05
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 128990481) is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine is Cc1nnc(N2C[C@@H](F)C[C@H]2CNC2Cc3ccccc3C2)o1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is HGZNQVZCGFGPPT-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-11-20-21-17(23-11)22-10-14(18)8-16(22)9-19-15-6-12-4-2-3-5-13(12)7-15/h2-5,14-16,19H,6-10H2,1H3/t14-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 316.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 128990481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).