(5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C25H27FN6O4 — CID 23626283

IUPAC(5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCN1CCOCC1)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C25H27FN6O4/c26-22-14-19(32-17-20(36-25(32)34)16-31-9-7-28-29-31)4-5-21(22)18-3-6-23(27-15-18)24(33)2-1-8-30-10-12-35-13-11-30/h3-7,9,14-15,20H,1-2,8,10-13,16-17H2/t20-/m0/s1
InChIKeyQKKONFJQICNRCP-FQEVSTJZSA-N
MW494.53 g/mol
LogP2.80
Rot. Bonds9

About (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626283) has the molecular formula C25H27FN6O4 and a molecular weight of 494.53 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23626283
Molecular FormulaC25H27FN6O4
Molecular Weight494.53 g/mol
Exact Mass494.21
IUPAC Name(5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCN1CCOCC1)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C25H27FN6O4/c26-22-14-19(32-17-20(36-25(32)34)16-31-9-7-28-29-31)4-5-21(22)18-3-6-23(27-15-18)24(33)2-1-8-30-10-12-35-13-11-30/h3-7,9,14-15,20H,1-2,8,10-13,16-17H2/t20-/m0/s1
InChIKeyQKKONFJQICNRCP-FQEVSTJZSA-N
XLogP2.80
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626283) is (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C(CCCN1CCOCC1)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QKKONFJQICNRCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27FN6O4/c26-22-14-19(32-17-20(36-25(32)34)16-31-9-7-28-29-31)4-5-21(22)18-3-6-23(27-15-18)24(33)2-1-8-30-10-12-35-13-11-30/h3-7,9,14-15,20H,1-2,8,10-13,16-17H2/t20-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 494.53 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).