(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

C22H25N5O4 — CID 127036405

IUPAC(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1
InChIInChI=1S/C22H25N5O4/c1-12(2)7-16-9-15(8-13(3)23-16)21-26-20(27-31-21)18-5-6-19(14(4)24-18)29-10-17-11-30-22(28)25-17/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyZRICGQPTMFMPGV-KRWDZBQOSA-N
MW423.47 g/mol
LogP3.50
Rot. Bonds7

About (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 127036405) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID127036405
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1
InChIInChI=1S/C22H25N5O4/c1-12(2)7-16-9-15(8-13(3)23-16)21-26-20(27-31-21)18-5-6-19(14(4)24-18)29-10-17-11-30-22(28)25-17/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyZRICGQPTMFMPGV-KRWDZBQOSA-N
XLogP3.50
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[[2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 127036262
(5S)-5-[[2-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]piperidin-2-one
CID 124171442
(5S)-5-[[2,4-dimethyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]pyrrolidin-2-one
CID 124171444
(5R)-5-[2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
CID 124171447
(3S,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54582669
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54586503
(4S)-4-[[4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 127036263
(4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036403
(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036404
(4S)-4-[[4-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036406
(4S)-4-[[4-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036425
(4S)-4-[[5-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036426

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (CID 127036405) is (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1.
What is the InChIKey of (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZRICGQPTMFMPGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-12(2)7-16-9-15(8-13(3)23-16)21-26-20(27-31-21)18-5-6-19(14(4)24-18)29-10-17-11-30-22(28)25-17/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,25,28)/t17-/m0/s1.
What are the key properties of (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 423.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 127036405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).