(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

C19H21N7O4 — CID 127036428

IUPAC(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
SMILESCc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1
InChIInChI=1S/C19H21N7O4/c1-10(2)22-15-5-12(4-11(3)23-15)18-25-17(26-30-18)14-6-21-16(7-20-14)28-8-13-9-29-19(27)24-13/h4-7,10,13H,8-9H2,1-3H3,(H,22,23)(H,24,27)/t13-/m0/s1
InChIKeyNTYMKIALWWRFCA-ZDUSSCGKSA-N
MW411.42 g/mol
LogP2.20
Rot. Bonds7

About (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

(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 (PubChem CID 127036428) has the molecular formula C19H21N7O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID127036428
Molecular FormulaC19H21N7O4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name(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
SMILESCc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1
InChIInChI=1S/C19H21N7O4/c1-10(2)22-15-5-12(4-11(3)23-15)18-25-17(26-30-18)14-6-21-16(7-20-14)28-8-13-9-29-19(27)24-13/h4-7,10,13H,8-9H2,1-3H3,(H,22,23)(H,24,27)/t13-/m0/s1
InChIKeyNTYMKIALWWRFCA-ZDUSSCGKSA-N
XLogP2.20
TPSA137.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1.
What is the InChIKey of (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?
The InChIKey is NTYMKIALWWRFCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N7O4/c1-10(2)22-15-5-12(4-11(3)23-15)18-25-17(26-30-18)14-6-21-16(7-20-14)28-8-13-9-29-19(27)24-13/h4-7,10,13H,8-9H2,1-3H3,(H,22,23)(H,24,27)/t13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 411.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 127036428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).