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

C12H15FN2O2 — CID 24967181

IUPAC(4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cc(CC[C@H]2COC(N)=N2)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-16-11-6-8(3-5-10(11)13)2-4-9-7-17-12(14)15-9/h3,5-6,9H,2,4,7H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyJAQIZGOGNQRXTB-VIFPVBQESA-N
MW238.26 g/mol
LogP1.48
Rot. Bonds4

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

(4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24967181) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24967181
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cc(CC[C@H]2COC(N)=N2)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-16-11-6-8(3-5-10(11)13)2-4-9-7-17-12(14)15-9/h3,5-6,9H,2,4,7H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyJAQIZGOGNQRXTB-VIFPVBQESA-N
XLogP1.48
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24967181) is (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1cc(CC[C@H]2COC(N)=N2)ccc1F.
What is the InChIKey of (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JAQIZGOGNQRXTB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-16-11-6-8(3-5-10(11)13)2-4-9-7-17-12(14)15-9/h3,5-6,9H,2,4,7H2,1H3,(H2,14,15)/t9-/m0/s1.
What are the key properties of (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 238.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24967181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).