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

C23H27FN4O4 — CID 58484488

IUPAC(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(F)c1
InChIInChI=1S/C23H27FN4O4/c1-15-10-16(2)21(25-12-15)26-6-8-27(9-7-26)22(29)19-5-4-17(11-20(19)24)28-18(13-31-3)14-32-23(28)30/h4-5,10-12,18H,6-9,13-14H2,1-3H3/t18-/m1/s1
InChIKeyDKVKFFPZMZSLKP-GOSISDBHSA-N
MW442.49 g/mol
LogP2.77
Rot. Bonds5

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

(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 58484488) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID58484488
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(F)c1
InChIInChI=1S/C23H27FN4O4/c1-15-10-16(2)21(25-12-15)26-6-8-27(9-7-26)22(29)19-5-4-17(11-20(19)24)28-18(13-31-3)14-32-23(28)30/h4-5,10-12,18H,6-9,13-14H2,1-3H3/t18-/m1/s1
InChIKeyDKVKFFPZMZSLKP-GOSISDBHSA-N
XLogP2.77
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.77
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-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one (CID 58484488) is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-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-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one is COC[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-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DKVKFFPZMZSLKP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-15-10-16(2)21(25-12-15)26-6-8-27(9-7-26)22(29)19-5-4-17(11-20(19)24)28-18(13-31-3)14-32-23(28)30/h4-5,10-12,18H,6-9,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one?
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 442.49 g/mol, XLogP of 2.77, 5 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-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).