6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide

C21H20N4O5 — CID 170575198

IUPAC6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(N)=O)nc(-c2cccc(-c3cc([C@@]4(O)CCN(C)C4=O)on3)c2)c1
InChIInChI=1S/C21H20N4O5/c1-25-7-6-21(28,20(25)27)18-11-16(24-30-18)13-5-3-4-12(8-13)15-9-14(29-2)10-17(23-15)19(22)26/h3-5,8-11,28H,6-7H2,1-2H3,(H2,22,26)/t21-/m0/s1
InChIKeyGCOHVKAHYPJUIS-NRFANRHFSA-N
MW408.41 g/mol
LogP1.56
Rot. Bonds5

About 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide

6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide (PubChem CID 170575198) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
PubChem CID170575198
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(N)=O)nc(-c2cccc(-c3cc([C@@]4(O)CCN(C)C4=O)on3)c2)c1
InChIInChI=1S/C21H20N4O5/c1-25-7-6-21(28,20(25)27)18-11-16(24-30-18)13-5-3-4-12(8-13)15-9-14(29-2)10-17(23-15)19(22)26/h3-5,8-11,28H,6-7H2,1-2H3,(H2,22,26)/t21-/m0/s1
InChIKeyGCOHVKAHYPJUIS-NRFANRHFSA-N
XLogP1.56
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-methylpyridine-2-carboxamide
CID 170575200
3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 175964612
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 170350381
3-[3-[3-(2-aminoquinazolin-8-yl)phenyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350733
6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid
CID 170350528
(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 175964542
(3R)-3-hydroxy-1-methyl-3-[3-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170413300
4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
CID 170574921
(3R)-3-hydroxy-3-[3-[4-methoxy-6-(2-methylsulfanylpyrimidin-4-yl)-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170326198
1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid
CID 170350985
(3R)-3-hydroxy-3-[3-[3-[2-[(4-methoxy-1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170326688

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide (CID 170575198) is 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide is COc1cc(C(N)=O)nc(-c2cccc(-c3cc([C@@]4(O)CCN(C)C4=O)on3)c2)c1.
What is the InChIKey of 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is GCOHVKAHYPJUIS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-25-7-6-21(28,20(25)27)18-11-16(24-30-18)13-5-3-4-12(8-13)15-9-14(29-2)10-17(23-15)19(22)26/h3-5,8-11,28H,6-7H2,1-2H3,(H2,22,26)/t21-/m0/s1.
What are the key properties of 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide?
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 170575198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).