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

C22H25FN4O3 — CID 58484615

IUPAC(5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C[C@H](C)OC4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H25FN4O3/c1-14-10-15(2)20(24-12-14)25-6-8-26(9-7-25)21(28)18-5-4-17(11-19(18)23)27-13-16(3)30-22(27)29/h4-5,10-12,16H,6-9,13H2,1-3H3/t16-/m0/s1
InChIKeyVFMRFOKQOMGNCV-INIZCTEOSA-N
MW412.47 g/mol
LogP3.15
Rot. Bonds3

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

(5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 58484615) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID58484615
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name(5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C[C@H](C)OC4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C22H25FN4O3/c1-14-10-15(2)20(24-12-14)25-6-8-26(9-7-25)21(28)18-5-4-17(11-19(18)23)27-13-16(3)30-22(27)29/h4-5,10-12,16H,6-9,13H2,1-3H3/t16-/m0/s1
InChIKeyVFMRFOKQOMGNCV-INIZCTEOSA-N
XLogP3.15
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one (CID 58484615) is (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4C[C@H](C)OC4=O)cc3F)CC2)c(C)c1.
What is the InChIKey of (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is VFMRFOKQOMGNCV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-14-10-15(2)20(24-12-14)25-6-8-26(9-7-25)21(28)18-5-4-17(11-19(18)23)27-13-16(3)30-22(27)29/h4-5,10-12,16H,6-9,13H2,1-3H3/t16-/m0/s1.
What are the key properties of (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
(5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 412.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).