(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one

C13H13N3O3 — CID 139200280

IUPAC(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
SMILESCc1noc(C[C@@]2(O)C(=O)Nc3ccccc32)c1N
InChIInChI=1S/C13H13N3O3/c1-7-11(14)10(19-16-7)6-13(18)8-4-2-3-5-9(8)15-12(13)17/h2-5,18H,6,14H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyLGVIMJIJHPQXRL-ZDUSSCGKSA-N
MW259.26 g/mol
LogP0.95
Rot. Bonds2

About (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one

(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one (PubChem CID 139200280) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
PubChem CID139200280
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
SMILESCc1noc(C[C@@]2(O)C(=O)Nc3ccccc32)c1N
InChIInChI=1S/C13H13N3O3/c1-7-11(14)10(19-16-7)6-13(18)8-4-2-3-5-9(8)15-12(13)17/h2-5,18H,6,14H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyLGVIMJIJHPQXRL-ZDUSSCGKSA-N
XLogP0.95
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 83035129
3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
CID 83034918
3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one
CID 105372992
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one
CID 83034401
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176973
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one (CID 139200280) is (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one is Cc1noc(C[C@@]2(O)C(=O)Nc3ccccc32)c1N.
What is the InChIKey of (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is LGVIMJIJHPQXRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7-11(14)10(19-16-7)6-13(18)8-4-2-3-5-9(8)15-12(13)17/h2-5,18H,6,14H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one?
(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 259.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 139200280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).