4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine

C13H12N2O3 — CID 69206577

IUPAC4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine
SMILESNc1nc(C2=COC=C(C3=CC=CCC3)O2)co1
InChIInChI=1S/C13H12N2O3/c14-13-15-10(6-17-13)12-8-16-7-11(18-12)9-4-2-1-3-5-9/h1-2,4,6-8H,3,5H2,(H2,14,15)
InChIKeyRZROGQUCAQXEQK-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.72
Rot. Bonds2

About 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine

4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine (PubChem CID 69206577) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine
PubChem CID69206577
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine
SMILESNc1nc(C2=COC=C(C3=CC=CCC3)O2)co1
InChIInChI=1S/C13H12N2O3/c14-13-15-10(6-17-13)12-8-16-7-11(18-12)9-4-2-1-3-5-9/h1-2,4,6-8H,3,5H2,(H2,14,15)
InChIKeyRZROGQUCAQXEQK-UHFFFAOYSA-N
XLogP2.72
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine (CID 69206577) is 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine is Nc1nc(C2=COC=C(C3=CC=CCC3)O2)co1.
What is the InChIKey of 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine?
The InChIKey is RZROGQUCAQXEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-13-15-10(6-17-13)12-8-16-7-11(18-12)9-4-2-1-3-5-9/h1-2,4,6-8H,3,5H2,(H2,14,15).
What are the key properties of 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine?
4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine has a molecular weight of 244.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 69206577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).