(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

C22H22FN5O3 — CID 127041702

IUPAC(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCOCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1
InChIInChI=1S/C22H22FN5O3/c23-19-11-17(27-15-18(31-22(27)29)14-26-7-9-30-10-8-26)4-5-21(19)28-13-16(12-25-28)20-3-1-2-6-24-20/h1-6,11-13,18H,7-10,14-15H2/t18-/m0/s1
InChIKeyRAYCBNLZEKPBPG-SFHVURJKSA-N
MW423.45 g/mol
LogP2.73
Rot. Bonds5

About (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 127041702) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID127041702
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCOCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1
InChIInChI=1S/C22H22FN5O3/c23-19-11-17(27-15-18(31-22(27)29)14-26-7-9-30-10-8-26)4-5-21(19)28-13-16(12-25-28)20-3-1-2-6-24-20/h1-6,11-13,18H,7-10,14-15H2/t18-/m0/s1
InChIKeyRAYCBNLZEKPBPG-SFHVURJKSA-N
XLogP2.73
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (CID 127041702) is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CN2CCOCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1.
What is the InChIKey of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is RAYCBNLZEKPBPG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22FN5O3/c23-19-11-17(27-15-18(31-22(27)29)14-26-7-9-30-10-8-26)4-5-21(19)28-13-16(12-25-28)20-3-1-2-6-24-20/h1-6,11-13,18H,7-10,14-15H2/t18-/m0/s1.
What are the key properties of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 423.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 127041702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).