5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine

C13H13N3O2 — CID 115109081

IUPAC5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
SMILESCOc1ccc2c(c1)c(-c1oncc1N)cn2C
InChIInChI=1S/C13H13N3O2/c1-16-7-10(13-11(14)6-15-18-13)9-5-8(17-2)3-4-12(9)16/h3-7H,14H2,1-2H3
InChIKeyQESZMVBDYNEBPZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.42
Rot. Bonds2

About 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine

5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine (PubChem CID 115109081) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
PubChem CID115109081
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
SMILESCOc1ccc2c(c1)c(-c1oncc1N)cn2C
InChIInChI=1S/C13H13N3O2/c1-16-7-10(13-11(14)6-15-18-13)9-5-8(17-2)3-4-12(9)16/h3-7H,14H2,1-2H3
InChIKeyQESZMVBDYNEBPZ-UHFFFAOYSA-N
XLogP2.42
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine (CID 115109081) is 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine is COc1ccc2c(c1)c(-c1oncc1N)cn2C.
What is the InChIKey of 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine?
The InChIKey is QESZMVBDYNEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-7-10(13-11(14)6-15-18-13)9-5-8(17-2)3-4-12(9)16/h3-7H,14H2,1-2H3.
What are the key properties of 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine?
5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine has a molecular weight of 243.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 115109081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).