N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine

C17H15N3O3 — CID 5306415

IUPACN-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCc2cc(-c3ccc4c(c3)OCO4)no2)c1
InChIInChI=1S/C17H15N3O3/c1-2-12(8-18-5-1)9-19-10-14-7-15(20-23-14)13-3-4-16-17(6-13)22-11-21-16/h1-8,19H,9-11H2
InChIKeyFNFPHXNJMBTEJW-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.76
Rot. Bonds5

About N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 5306415) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID5306415
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCc2cc(-c3ccc4c(c3)OCO4)no2)c1
InChIInChI=1S/C17H15N3O3/c1-2-12(8-18-5-1)9-19-10-14-7-15(20-23-14)13-3-4-16-17(6-13)22-11-21-16/h1-8,19H,9-11H2
InChIKeyFNFPHXNJMBTEJW-UHFFFAOYSA-N
XLogP2.76
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 119114272
1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium
CID 7357343
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 46949495
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 20875720
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 142679836
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
CID 3146119
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanamine
CID 142679500
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 18127703
N-(1,3-benzodioxol-5-ylmethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]-2-pyridin-3-ylacetamide
CID 44536274

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine (CID 5306415) is N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine is c1cncc(CNCc2cc(-c3ccc4c(c3)OCO4)no2)c1.
What is the InChIKey of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is FNFPHXNJMBTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-12(8-18-5-1)9-19-10-14-7-15(20-23-14)13-3-4-16-17(6-13)22-11-21-16/h1-8,19H,9-11H2.
What are the key properties of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 309.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 5306415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).