1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol

C15H19FN2O3 — CID 62016330

IUPAC1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN2O3/c1-18(8-14(19)10-20-2)7-13-9-21-15(17-13)11-4-3-5-12(16)6-11/h3-6,9,14,19H,7-8,10H2,1-2H3
InChIKeyQZYBZSOVINNKDQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.92
Rot. Bonds7

About 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol

1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62016330) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62016330
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN2O3/c1-18(8-14(19)10-20-2)7-13-9-21-15(17-13)11-4-3-5-12(16)6-11/h3-6,9,14,19H,7-8,10H2,1-2H3
InChIKeyQZYBZSOVINNKDQ-UHFFFAOYSA-N
XLogP1.92
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol (CID 62016330) is 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is QZYBZSOVINNKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-18(8-14(19)10-20-2)7-13-9-21-15(17-13)11-4-3-5-12(16)6-11/h3-6,9,14,19H,7-8,10H2,1-2H3.
What are the key properties of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol?
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 294.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62016330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).