4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine

C15H11N3O3 — CID 43336149

IUPAC4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccnc2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O3/c16-15-13(9-3-4-11-12(6-9)20-8-19-11)14(18-21-15)10-2-1-5-17-7-10/h1-7H,8,16H2
InChIKeyQPMOUFHVEZNHPU-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.71
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine

4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine (PubChem CID 43336149) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
PubChem CID43336149
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccnc2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O3/c16-15-13(9-3-4-11-12(6-9)20-8-19-11)14(18-21-15)10-2-1-5-17-7-10/h1-7H,8,16H2
InChIKeyQPMOUFHVEZNHPU-UHFFFAOYSA-N
XLogP2.71
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670770
4-(1,3-benzodioxol-5-yl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645078
3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522903
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine
CID 142578013
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303
3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523152
3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522997
3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523150
3-(2,3-dimethylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523111
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine
CID 5306415

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine (CID 43336149) is 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine is Nc1onc(-c2cccnc2)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine?
The InChIKey is QPMOUFHVEZNHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-15-13(9-3-4-11-12(6-9)20-8-19-11)14(18-21-15)10-2-1-5-17-7-10/h1-7H,8,16H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine?
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine has a molecular weight of 281.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 43336149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).