3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one

C22H25FN4O3 — CID 58484633

IUPAC3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H25FN4O3/c1-3-16-12-15(2)20(24-14-16)25-6-8-26(9-7-25)21(28)18-5-4-17(13-19(18)23)27-10-11-30-22(27)29/h4-5,12-14H,3,6-11H2,1-2H3
InChIKeyLRQZBPOXXBEUQG-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.01
Rot. Bonds4

About 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one

3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 58484633) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID58484633
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H25FN4O3/c1-3-16-12-15(2)20(24-14-16)25-6-8-26(9-7-25)21(28)18-5-4-17(13-19(18)23)27-10-11-30-22(27)29/h4-5,12-14H,3,6-11H2,1-2H3
InChIKeyLRQZBPOXXBEUQG-UHFFFAOYSA-N
XLogP3.01
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 58484633) is 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one is CCc1cnc(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3F)CC2)c(C)c1.
What is the InChIKey of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is LRQZBPOXXBEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-3-16-12-15(2)20(24-14-16)25-6-8-26(9-7-25)21(28)18-5-4-17(13-19(18)23)27-10-11-30-22(27)29/h4-5,12-14H,3,6-11H2,1-2H3.
What are the key properties of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 412.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).