(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one

C21H24N4O3 — CID 72928233

IUPAC(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)CN3C(=O)OC[C@@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C21H24N4O3/c1-16-6-5-9-19(22-16)23-10-12-24(13-11-23)20(26)14-25-18(15-28-21(25)27)17-7-3-2-4-8-17/h2-9,18H,10-15H2,1H3/t18-/m1/s1
InChIKeyYIOHCGZYRJWLMP-GOSISDBHSA-N
MW380.45 g/mol
LogP2.23
Rot. Bonds4

About (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 72928233) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID72928233
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)CN3C(=O)OC[C@@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C21H24N4O3/c1-16-6-5-9-19(22-16)23-10-12-24(13-11-23)20(26)14-25-18(15-28-21(25)27)17-7-3-2-4-8-17/h2-9,18H,10-15H2,1H3/t18-/m1/s1
InChIKeyYIOHCGZYRJWLMP-GOSISDBHSA-N
XLogP2.23
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one (CID 72928233) is (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one is Cc1cccc(N2CCN(C(=O)CN3C(=O)OC[C@@H]3c3ccccc3)CC2)n1.
What is the InChIKey of (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YIOHCGZYRJWLMP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-16-6-5-9-19(22-16)23-10-12-24(13-11-23)20(26)14-25-18(15-28-21(25)27)17-7-3-2-4-8-17/h2-9,18H,10-15H2,1H3/t18-/m1/s1.
What are the key properties of (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 380.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72928233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).