(5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C21H24FN3O4 — CID 21356667

IUPAC(5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCCCN1CC=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1
InChIInChI=1S/C21H24FN3O4/c1-2-8-24-9-5-15(6-10-24)18-4-3-16(12-19(18)22)25-13-17(29-21(25)26)14-27-20-7-11-28-23-20/h3-5,7,11-12,17H,2,6,8-10,13-14H2,1H3/t17-/m1/s1
InChIKeyLZWPFIZWZLNEFJ-QGZVFWFLSA-N
MW401.44 g/mol
LogP3.72
Rot. Bonds7

About (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 21356667) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID21356667
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name(5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCCCN1CC=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1
InChIInChI=1S/C21H24FN3O4/c1-2-8-24-9-5-15(6-10-24)18-4-3-16(12-19(18)22)25-13-17(29-21(25)26)14-27-20-7-11-28-23-20/h3-5,7,11-12,17H,2,6,8-10,13-14H2,1H3/t17-/m1/s1
InChIKeyLZWPFIZWZLNEFJ-QGZVFWFLSA-N
XLogP3.72
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 21356667) is (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is CCCN1CC=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is LZWPFIZWZLNEFJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-2-8-24-9-5-15(6-10-24)18-4-3-16(12-19(18)22)25-13-17(29-21(25)26)14-27-20-7-11-28-23-20/h3-5,7,11-12,17H,2,6,8-10,13-14H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 401.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 21356667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).