6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide

C21H20FN3O4 — CID 68932948

IUPAC6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C21H20FN3O4/c22-16-7-4-13(5-8-16)20-15(12-29-25-20)11-28-19-9-6-14(10-23-19)21(27)24-17-2-1-3-18(17)26/h4-10,12,17-18,26H,1-3,11H2,(H,24,27)/t17-,18-/m1/s1
InChIKeyTWSSCEDFIRFLNF-QZTJIDSGSA-N
MW397.41 g/mol
LogP3.10
Rot. Bonds6

About 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide

6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide (PubChem CID 68932948) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide
PubChem CID68932948
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C21H20FN3O4/c22-16-7-4-13(5-8-16)20-15(12-29-25-20)11-28-19-9-6-14(10-23-19)21(27)24-17-2-1-3-18(17)26/h4-10,12,17-18,26H,1-3,11H2,(H,24,27)/t17-,18-/m1/s1
InChIKeyTWSSCEDFIRFLNF-QZTJIDSGSA-N
XLogP3.10
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide (CID 68932948) is 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCC[C@H]1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide?
The InChIKey is TWSSCEDFIRFLNF-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-16-7-4-13(5-8-16)20-15(12-29-25-20)11-28-19-9-6-14(10-23-19)21(27)24-17-2-1-3-18(17)26/h4-10,12,17-18,26H,1-3,11H2,(H,24,27)/t17-,18-/m1/s1.
What are the key properties of 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide?
6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(1R,2R)-2-hydroxycyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 68932948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).