(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

C23H28N4O3 — CID 58484501

IUPAC(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc(N4C[C@H](C)OC4=O)cc3)CC2)nc1C
InChIInChI=1S/C23H28N4O3/c1-15-13-16(2)21(24-18(15)4)25-9-11-26(12-10-25)22(28)19-5-7-20(8-6-19)27-14-17(3)30-23(27)29/h5-8,13,17H,9-12,14H2,1-4H3/t17-/m0/s1
InChIKeyWBEQSSPMUJURDC-KRWDZBQOSA-N
MW408.50 g/mol
LogP3.31
Rot. Bonds3

About (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58484501) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID58484501
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc(N4C[C@H](C)OC4=O)cc3)CC2)nc1C
InChIInChI=1S/C23H28N4O3/c1-15-13-16(2)21(24-18(15)4)25-9-11-26(12-10-25)22(28)19-5-7-20(8-6-19)27-14-17(3)30-23(27)29/h5-8,13,17H,9-12,14H2,1-4H3/t17-/m0/s1
InChIKeyWBEQSSPMUJURDC-KRWDZBQOSA-N
XLogP3.31
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67381355
[4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone;hydrochloride
CID 71252830
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67382286
3-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58484509
3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione
CID 134494693
1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one
CID 150604099
(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484748
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495156
5-(methoxymethyl)-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494521
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 71252145

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 58484501) is (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4C[C@H](C)OC4=O)cc3)CC2)nc1C.
What is the InChIKey of (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WBEQSSPMUJURDC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-13-16(2)21(24-18(15)4)25-9-11-26(12-10-25)22(28)19-5-7-20(8-6-19)27-14-17(3)30-23(27)29/h5-8,13,17H,9-12,14H2,1-4H3/t17-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 408.50 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).