5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine

C13H13N3O — CID 82287964

IUPAC5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
SMILESCc1c(-c2cnc(N)o2)c2ccccc2n1C
InChIInChI=1S/C13H13N3O/c1-8-12(11-7-15-13(14)17-11)9-5-3-4-6-10(9)16(8)2/h3-7H,1-2H3,(H2,14,15)
InChIKeyVFSOMBDDDYAVPO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds1

About 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine

5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine (PubChem CID 82287964) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
PubChem CID82287964
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
SMILESCc1c(-c2cnc(N)o2)c2ccccc2n1C
InChIInChI=1S/C13H13N3O/c1-8-12(11-7-15-13(14)17-11)9-5-3-4-6-10(9)16(8)2/h3-7H,1-2H3,(H2,14,15)
InChIKeyVFSOMBDDDYAVPO-UHFFFAOYSA-N
XLogP2.72
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine (CID 82287964) is 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine is Cc1c(-c2cnc(N)o2)c2ccccc2n1C.
What is the InChIKey of 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine?
The InChIKey is VFSOMBDDDYAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-12(11-7-15-13(14)17-11)9-5-3-4-6-10(9)16(8)2/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine?
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 82287964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).