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

C20H21FN4O3 — CID 58484510

IUPAC3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3F)CC2)nc1
InChIInChI=1S/C20H21FN4O3/c1-14-2-5-18(22-13-14)23-6-8-24(9-7-23)19(26)16-4-3-15(12-17(16)21)25-10-11-28-20(25)27/h2-5,12-13H,6-11H2,1H3
InChIKeyWODNGNFPNPSQSG-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.45
Rot. Bonds3

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

3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58484510) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID58484510
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3F)CC2)nc1
InChIInChI=1S/C20H21FN4O3/c1-14-2-5-18(22-13-14)23-6-8-24(9-7-23)19(26)16-4-3-15(12-17(16)21)25-10-11-28-20(25)27/h2-5,12-13H,6-11H2,1H3
InChIKeyWODNGNFPNPSQSG-UHFFFAOYSA-N
XLogP2.45
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 58484510) is 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is Cc1ccc(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3F)CC2)nc1.
What is the InChIKey of 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WODNGNFPNPSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-14-2-5-18(22-13-14)23-6-8-24(9-7-23)19(26)16-4-3-15(12-17(16)21)25-10-11-28-20(25)27/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 384.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).