(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one

C24H29FN4O4 — CID 58484654

IUPAC(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one
SMILESCCOC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(F)c1
InChIInChI=1S/C24H29FN4O4/c1-4-32-14-19-15-33-24(31)29(19)18-5-6-20(21(25)12-18)23(30)28-9-7-27(8-10-28)22-17(3)11-16(2)13-26-22/h5-6,11-13,19H,4,7-10,14-15H2,1-3H3/t19-/m1/s1
InChIKeyVBDWGAIYERTUNN-LJQANCHMSA-N
MW456.52 g/mol
LogP3.16
Rot. Bonds6

About (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one

(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 58484654) has the molecular formula C24H29FN4O4 and a molecular weight of 456.52 g/mol. Its IUPAC name is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID58484654
Molecular FormulaC24H29FN4O4
Molecular Weight456.52 g/mol
Exact Mass456.22
IUPAC Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one
SMILESCCOC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(F)c1
InChIInChI=1S/C24H29FN4O4/c1-4-32-14-19-15-33-24(31)29(19)18-5-6-20(21(25)12-18)23(30)28-9-7-27(8-10-28)22-17(3)11-16(2)13-26-22/h5-6,11-13,19H,4,7-10,14-15H2,1-3H3/t19-/m1/s1
InChIKeyVBDWGAIYERTUNN-LJQANCHMSA-N
XLogP3.16
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one (CID 58484654) is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one is CCOC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(F)c1.
What is the InChIKey of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VBDWGAIYERTUNN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29FN4O4/c1-4-32-14-19-15-33-24(31)29(19)18-5-6-20(21(25)12-18)23(30)28-9-7-27(8-10-28)22-17(3)11-16(2)13-26-22/h5-6,11-13,19H,4,7-10,14-15H2,1-3H3/t19-/m1/s1.
What are the key properties of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one?
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 456.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(ethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).