3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine

C15H23FN2O3 — CID 145467508

IUPAC3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine
SMILESCOCC1CC(c2ccc(C(OC)C(N)CF)cc2)NO1
InChIInChI=1S/C15H23FN2O3/c1-19-9-12-7-14(18-21-12)10-3-5-11(6-4-10)15(20-2)13(17)8-16/h3-6,12-15,18H,7-9,17H2,1-2H3
InChIKeyNIAYJOVLKAXIOX-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.65
Rot. Bonds7

About 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine

3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine (PubChem CID 145467508) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine
PubChem CID145467508
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine
SMILESCOCC1CC(c2ccc(C(OC)C(N)CF)cc2)NO1
InChIInChI=1S/C15H23FN2O3/c1-19-9-12-7-14(18-21-12)10-3-5-11(6-4-10)15(20-2)13(17)8-16/h3-6,12-15,18H,7-9,17H2,1-2H3
InChIKeyNIAYJOVLKAXIOX-UHFFFAOYSA-N
XLogP1.65
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine?
The IUPAC name of 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine (CID 145467508) is 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine.
What is the SMILES notation for 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine?
The canonical SMILES for 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine is COCC1CC(c2ccc(C(OC)C(N)CF)cc2)NO1.
What is the InChIKey of 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine?
The InChIKey is NIAYJOVLKAXIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-19-9-12-7-14(18-21-12)10-3-5-11(6-4-10)15(20-2)13(17)8-16/h3-6,12-15,18H,7-9,17H2,1-2H3.
What are the key properties of 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine?
3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine has a molecular weight of 298.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine is sourced from PubChem (CID 145467508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).