(4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one

C21H23FN4O3 — CID 58484714

IUPAC(4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3F)CC2)nc1
InChIInChI=1S/C21H23FN4O3/c1-14-3-6-19(23-12-14)24-7-9-25(10-8-24)20(27)17-5-4-16(11-18(17)22)26-15(2)13-29-21(26)28/h3-6,11-12,15H,7-10,13H2,1-2H3/t15-/m1/s1
InChIKeyUMYWKNLVMAHSOD-OAHLLOKOSA-N
MW398.44 g/mol
LogP2.84
Rot. Bonds3

About (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one

(4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58484714) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID58484714
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name(4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3F)CC2)nc1
InChIInChI=1S/C21H23FN4O3/c1-14-3-6-19(23-12-14)24-7-9-25(10-8-24)20(27)17-5-4-16(11-18(17)22)26-15(2)13-29-21(26)28/h3-6,11-12,15H,7-10,13H2,1-2H3/t15-/m1/s1
InChIKeyUMYWKNLVMAHSOD-OAHLLOKOSA-N
XLogP2.84
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 58484714) is (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is Cc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3F)CC2)nc1.
What is the InChIKey of (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is UMYWKNLVMAHSOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-14-3-6-19(23-12-14)24-7-9-25(10-8-24)20(27)17-5-4-16(11-18(17)22)26-15(2)13-29-21(26)28/h3-6,11-12,15H,7-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 398.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).