5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

C17H12N4O3 — CID 23725898

IUPAC5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1ncc(-c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C17H12N4O3/c1-4-14-15(23-9-22-14)6-10(1)16-8-18-17(24-16)20-12-2-3-13-11(5-12)7-19-21-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyVNEWMFBVMMESIU-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.69
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (PubChem CID 23725898) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
PubChem CID23725898
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1ncc(-c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C17H12N4O3/c1-4-14-15(23-9-22-14)6-10(1)16-8-18-17(24-16)20-12-2-3-13-11(5-12)7-19-21-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyVNEWMFBVMMESIU-UHFFFAOYSA-N
XLogP3.69
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (CID 23725898) is 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is c1cc2[nH]ncc2cc1Nc1ncc(-c2ccc3c(c2)OCO3)o1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is VNEWMFBVMMESIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-4-14-15(23-9-22-14)6-10(1)16-8-18-17(24-16)20-12-2-3-13-11(5-12)7-19-21-13/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 320.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 23725898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).