3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine

C20H21N3O3 — CID 56775664

IUPAC3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
SMILESc1ccc(OCc2cc(CC3(NCc4cccnc4)COC3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-6-18(7-3-1)25-13-19-9-17(23-26-19)10-20(14-24-15-20)22-12-16-5-4-8-21-11-16/h1-9,11,22H,10,12-15H2
InChIKeyJSCBJJHUKLYVOD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.75
Rot. Bonds8

About 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine

3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine (PubChem CID 56775664) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine.

Molecular Properties

Compound Name3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
PubChem CID56775664
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
SMILESc1ccc(OCc2cc(CC3(NCc4cccnc4)COC3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-6-18(7-3-1)25-13-19-9-17(23-26-19)10-20(14-24-15-20)22-12-16-5-4-8-21-11-16/h1-9,11,22H,10,12-15H2
InChIKeyJSCBJJHUKLYVOD-UHFFFAOYSA-N
XLogP2.75
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine with MolForge

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Related Compounds

3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775786
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
CID 56775535
[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
CID 56775585
N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775709
N-[[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62450295
N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775702
3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]oxetan-3-amine
CID 71694078
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775708
N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide
CID 56775812
2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline
CID 6478590
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine?
The IUPAC name of 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine (CID 56775664) is 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine.
What is the SMILES notation for 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine?
The canonical SMILES for 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine is c1ccc(OCc2cc(CC3(NCc4cccnc4)COC3)no2)cc1.
What is the InChIKey of 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine?
The InChIKey is JSCBJJHUKLYVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-6-18(7-3-1)25-13-19-9-17(23-26-19)10-20(14-24-15-20)22-12-16-5-4-8-21-11-16/h1-9,11,22H,10,12-15H2.
What are the key properties of 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine?
3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine has a molecular weight of 351.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine is sourced from PubChem (CID 56775664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).