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5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid

C19H23FN2O5 — CID 135088984

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2onc(N(C)CC3(CO)CCCC3)c2C(=O)O)ccc1F
InChIInChI=1S/C19H23FN2O5/c1-22(10-19(11-23)7-3-4-8-19)17-15(18(24)25)16(27-21-17)12-5-6-13(20)14(9-12)26-2/h5-6,9,23H,3-4,7-8,10-11H2,1-2H3,(H,24,25)
InChIKeyGSDTZTSYAPWGRF-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.18
Rot. Bonds7

About 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid (PubChem CID 135088984) has the molecular formula C19H23FN2O5 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid
PubChem CID135088984
Molecular FormulaC19H23FN2O5
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2onc(N(C)CC3(CO)CCCC3)c2C(=O)O)ccc1F
InChIInChI=1S/C19H23FN2O5/c1-22(10-19(11-23)7-3-4-8-19)17-15(18(24)25)16(27-21-17)12-5-6-13(20)14(9-12)26-2/h5-6,9,23H,3-4,7-8,10-11H2,1-2H3,(H,24,25)
InChIKeyGSDTZTSYAPWGRF-UHFFFAOYSA-N
XLogP3.18
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid (CID 135088984) is 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid is COc1cc(-c2onc(N(C)CC3(CO)CCCC3)c2C(=O)O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid?
The InChIKey is GSDTZTSYAPWGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5/c1-22(10-19(11-23)7-3-4-8-19)17-15(18(24)25)16(27-21-17)12-5-6-13(20)14(9-12)26-2/h5-6,9,23H,3-4,7-8,10-11H2,1-2H3,(H,24,25).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid?
5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid has a molecular weight of 378.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 135088984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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