(3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one

C15H17N3O3 — CID 2396940

IUPAC(3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1noc(N)c1[C@@]1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-8(2)18-11-7-5-4-6-10(11)15(20,14(18)19)12-9(3)17-21-13(12)16/h4-8,20H,16H2,1-3H3/t15-/m1/s1
InChIKeyISEUCEYROPVBSE-OAHLLOKOSA-N
MW287.32 g/mol
LogP1.56
Rot. Bonds2

About (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one

(3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one (PubChem CID 2396940) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
PubChem CID2396940
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1noc(N)c1[C@@]1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-8(2)18-11-7-5-4-6-10(11)15(20,14(18)19)12-9(3)17-21-13(12)16/h4-8,20H,16H2,1-3H3/t15-/m1/s1
InChIKeyISEUCEYROPVBSE-OAHLLOKOSA-N
XLogP1.56
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-Amino-3-methylisoxazol-4-yl)-5,7-dichloro-3-hydroxyindolin-2-one
CID 4215101
3-(5-Amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
CID 4215280
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 86282038
5-(3,5-Dimethylisoxazol-4-yl)-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one
CID 117668070
(3S)-1-benzyl-3-[difluoro-(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-3-hydroxyindol-2-one
CID 177850037
3-(5-Amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one
CID 4784574
3-[difluoro-(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 151265905
3-Hydroxy-3-((3-methyl-4-nitroisoxazol-5-yl)methyl)indolin-2-one
CID 139200278
3-((4-Amino-3-methylisoxazol-5-yl)methyl)-3-hydroxyindolin-2-one
CID 139200280
5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one
CID 122403723
3-[1-(3-ethyl-4-nitro-1,2-oxazol-5-yl)ethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 122403728
3-(5-Amino-3-methyl-1,2-oxazol-4-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 3936041

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
The IUPAC name of (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one (CID 2396940) is (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one.
What is the SMILES notation for (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
The canonical SMILES for (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one is Cc1noc(N)c1[C@@]1(O)C(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
The InChIKey is ISEUCEYROPVBSE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8(2)18-11-7-5-4-6-10(11)15(20,14(18)19)12-9(3)17-21-13(12)16/h4-8,20H,16H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one?
(3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one is sourced from PubChem (CID 2396940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).