3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine

C14H15N3O — CID 84741345

IUPAC3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(C)c2c(c1)c(-c1cc(N)on1)cn2C
InChIInChI=1S/C14H15N3O/c1-8-4-9(2)14-10(5-8)11(7-17(14)3)12-6-13(15)18-16-12/h4-7H,15H2,1-3H3
InChIKeyYKJPZVREZGLMOS-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.03
Rot. Bonds1

About 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine

3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine (PubChem CID 84741345) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine
PubChem CID84741345
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(C)c2c(c1)c(-c1cc(N)on1)cn2C
InChIInChI=1S/C14H15N3O/c1-8-4-9(2)14-10(5-8)11(7-17(14)3)12-6-13(15)18-16-12/h4-7H,15H2,1-3H3
InChIKeyYKJPZVREZGLMOS-UHFFFAOYSA-N
XLogP3.03
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine (CID 84741345) is 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine is Cc1cc(C)c2c(c1)c(-c1cc(N)on1)cn2C.
What is the InChIKey of 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine?
The InChIKey is YKJPZVREZGLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8-4-9(2)14-10(5-8)11(7-17(14)3)12-6-13(15)18-16-12/h4-7H,15H2,1-3H3.
What are the key properties of 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine?
3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine has a molecular weight of 241.29 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5,7-trimethylindol-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 84741345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).