[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine

C10H16FN3O — CID 119030869

IUPAC[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN)on1
InChIInChI=1S/C10H16FN3O/c1-7-2-10(15-13-7)6-14-5-8(11)3-9(14)4-12/h2,8-9H,3-6,12H2,1H3/t8-,9-/m0/s1
InChIKeyYSBVDQGUDNYDDF-IUCAKERBSA-N
MW213.26 g/mol
LogP0.85
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine

[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 119030869) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID119030869
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN)on1
InChIInChI=1S/C10H16FN3O/c1-7-2-10(15-13-7)6-14-5-8(11)3-9(14)4-12/h2,8-9H,3-6,12H2,1H3/t8-,9-/m0/s1
InChIKeyYSBVDQGUDNYDDF-IUCAKERBSA-N
XLogP0.85
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine (CID 119030869) is [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine is Cc1cc(CN2C[C@@H](F)C[C@H]2CN)on1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is YSBVDQGUDNYDDF-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-7-2-10(15-13-7)6-14-5-8(11)3-9(14)4-12/h2,8-9H,3-6,12H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 213.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119030869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).