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

C21H22F2N4O3 — CID 58484766

IUPAC(4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3c(F)cc(N4C(=O)OC[C@H]4C)cc3F)CC2)nc1
InChIInChI=1S/C21H22F2N4O3/c1-13-3-4-18(24-11-13)25-5-7-26(8-6-25)20(28)19-16(22)9-15(10-17(19)23)27-14(2)12-30-21(27)29/h3-4,9-11,14H,5-8,12H2,1-2H3/t14-/m1/s1
InChIKeyGTWUTPWVCGOZCQ-CQSZACIVSA-N
MW416.43 g/mol
LogP2.98
Rot. Bonds3

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

(4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58484766) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is (4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID58484766
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name(4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3c(F)cc(N4C(=O)OC[C@H]4C)cc3F)CC2)nc1
InChIInChI=1S/C21H22F2N4O3/c1-13-3-4-18(24-11-13)25-5-7-26(8-6-25)20(28)19-16(22)9-15(10-17(19)23)27-14(2)12-30-21(27)29/h3-4,9-11,14H,5-8,12H2,1-2H3/t14-/m1/s1
InChIKeyGTWUTPWVCGOZCQ-CQSZACIVSA-N
XLogP2.98
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 58484766) is (4R)-3-[3,5-difluoro-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-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is Cc1ccc(N2CCN(C(=O)c3c(F)cc(N4C(=O)OC[C@H]4C)cc3F)CC2)nc1.
What is the InChIKey of (4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is GTWUTPWVCGOZCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-13-3-4-18(24-11-13)25-5-7-26(8-6-25)20(28)19-16(22)9-15(10-17(19)23)27-14(2)12-30-21(27)29/h3-4,9-11,14H,5-8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 416.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3,5-difluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).