3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one

C12H9Cl2N3O3 — CID 4215101

IUPAC3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESCc1noc(N)c1C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H9Cl2N3O3/c1-4-8(10(15)20-17-4)12(19)6-2-5(13)3-7(14)9(6)16-11(12)18/h2-3,19H,15H2,1H3,(H,16,18)
InChIKeyOEHHLZKRUOKPSV-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.06
Rot. Bonds1

About 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one

3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one (PubChem CID 4215101) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one
PubChem CID4215101
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC Name3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESCc1noc(N)c1C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H9Cl2N3O3/c1-4-8(10(15)20-17-4)12(19)6-2-5(13)3-7(14)9(6)16-11(12)18/h2-3,19H,15H2,1H3,(H,16,18)
InChIKeyOEHHLZKRUOKPSV-UHFFFAOYSA-N
XLogP2.06
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one (CID 4215101) is 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one is Cc1noc(N)c1C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The InChIKey is OEHHLZKRUOKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c1-4-8(10(15)20-17-4)12(19)6-2-5(13)3-7(14)9(6)16-11(12)18/h2-3,19H,15H2,1H3,(H,16,18).
What are the key properties of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one has a molecular weight of 314.13 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 4215101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).