(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

C21H24N6O4 — CID 127036404

IUPAC(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
SMILESCc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1
InChIInChI=1S/C21H24N6O4/c1-11(2)22-18-8-14(7-12(3)23-18)20-26-19(27-31-20)16-5-6-17(13(4)24-16)29-9-15-10-30-21(28)25-15/h5-8,11,15H,9-10H2,1-4H3,(H,22,23)(H,25,28)/t15-/m0/s1
InChIKeyKMAJGFWVDUOCAM-HNNXBMFYSA-N
MW424.46 g/mol
LogP3.12
Rot. Bonds7

About (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

(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 (PubChem CID 127036404) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID127036404
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name(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
SMILESCc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1
InChIInChI=1S/C21H24N6O4/c1-11(2)22-18-8-14(7-12(3)23-18)20-26-19(27-31-20)16-5-6-17(13(4)24-16)29-9-15-10-30-21(28)25-15/h5-8,11,15H,9-10H2,1-4H3,(H,22,23)(H,25,28)/t15-/m0/s1
InChIKeyKMAJGFWVDUOCAM-HNNXBMFYSA-N
XLogP3.12
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1.
What is the InChIKey of (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?
The InChIKey is KMAJGFWVDUOCAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-11(2)22-18-8-14(7-12(3)23-18)20-26-19(27-31-20)16-5-6-17(13(4)24-16)29-9-15-10-30-21(28)25-15/h5-8,11,15H,9-10H2,1-4H3,(H,22,23)(H,25,28)/t15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 424.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 127036404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).