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

C23H27FN4O3 — CID 58484704

IUPAC(4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCCc1cc(C)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cc2F)CC1
InChIInChI=1S/C23H27FN4O3/c1-4-17-11-15(2)13-25-21(17)26-7-9-27(10-8-26)22(29)19-6-5-18(12-20(19)24)28-16(3)14-31-23(28)30/h5-6,11-13,16H,4,7-10,14H2,1-3H3/t16-/m1/s1
InChIKeyQAGSPPGWCPQCDK-MRXNPFEDSA-N
MW426.49 g/mol
LogP3.40
Rot. Bonds4

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

(4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58484704) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID58484704
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name(4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCCc1cc(C)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cc2F)CC1
InChIInChI=1S/C23H27FN4O3/c1-4-17-11-15(2)13-25-21(17)26-7-9-27(10-8-26)22(29)19-6-5-18(12-20(19)24)28-16(3)14-31-23(28)30/h5-6,11-13,16H,4,7-10,14H2,1-3H3/t16-/m1/s1
InChIKeyQAGSPPGWCPQCDK-MRXNPFEDSA-N
XLogP3.40
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one (CID 58484704) is (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one is CCc1cc(C)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cc2F)CC1.
What is the InChIKey of (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QAGSPPGWCPQCDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-4-17-11-15(2)13-25-21(17)26-7-9-27(10-8-26)22(29)19-6-5-18(12-20(19)24)28-16(3)14-31-23(28)30/h5-6,11-13,16H,4,7-10,14H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 426.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).