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

C20H22N6O4 — CID 127036429

IUPAC(4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1
InChIInChI=1S/C20H22N6O4/c1-11(2)4-14-6-13(5-12(3)23-14)19-25-18(26-30-19)16-7-22-17(8-21-16)28-9-15-10-29-20(27)24-15/h5-8,11,15H,4,9-10H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeyABZDAEIKVWOCAQ-HNNXBMFYSA-N
MW410.43 g/mol
LogP2.58
Rot. Bonds7

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

(4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 127036429) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID127036429
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name(4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1
InChIInChI=1S/C20H22N6O4/c1-11(2)4-14-6-13(5-12(3)23-14)19-25-18(26-30-19)16-7-22-17(8-21-16)28-9-15-10-29-20(27)24-15/h5-8,11,15H,4,9-10H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeyABZDAEIKVWOCAQ-HNNXBMFYSA-N
XLogP2.58
TPSA125.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

(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
(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-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036405
(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
(4S)-4-[[3-methyl-5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036427
(4S)-4-[[5-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036428
(4S)-4-[[3-methyl-5-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036430
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylisonicotinamide
CID 139330761
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylisonicotinamide
CID 139330763
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 132028780

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 127036429) is (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one is Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1.
What is the InChIKey of (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is ABZDAEIKVWOCAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-11(2)4-14-6-13(5-12(3)23-14)19-25-18(26-30-19)16-7-22-17(8-21-16)28-9-15-10-29-20(27)24-15/h5-8,11,15H,4,9-10H2,1-3H3,(H,24,27)/t15-/m0/s1.
What are the key properties of (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one?
(4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 410.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 127036429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).