(4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C10H12FN3O — CID 59323873

IUPAC(4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCc2ccncc2F)CO1
InChIInChI=1S/C10H12FN3O/c11-9-5-13-4-3-7(9)1-2-8-6-15-10(12)14-8/h3-5,8H,1-2,6H2,(H2,12,14)/t8-/m0/s1
InChIKeyCYMGQIZRQNZHAM-QMMMGPOBSA-N
MW209.22 g/mol
LogP0.87
Rot. Bonds3

About (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323873) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323873
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name(4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCc2ccncc2F)CO1
InChIInChI=1S/C10H12FN3O/c11-9-5-13-4-3-7(9)1-2-8-6-15-10(12)14-8/h3-5,8H,1-2,6H2,(H2,12,14)/t8-/m0/s1
InChIKeyCYMGQIZRQNZHAM-QMMMGPOBSA-N
XLogP0.87
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323873) is (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCc2ccncc2F)CO1.
What is the InChIKey of (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is CYMGQIZRQNZHAM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-9-5-13-4-3-7(9)1-2-8-6-15-10(12)14-8/h3-5,8H,1-2,6H2,(H2,12,14)/t8-/m0/s1.
What are the key properties of (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 209.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).