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

C20H21N3O3 — CID 56775709

IUPACN-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESCOc1cccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)c1
InChIInChI=1S/C20H21N3O3/c1-24-17-6-4-5-15(9-17)12-22-20(13-25-14-20)11-16-10-19(26-23-16)18-7-2-3-8-21-18/h2-10,22H,11-14H2,1H3
InChIKeySASBZGOVDSLFJC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.85
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (PubChem CID 56775709) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
PubChem CID56775709
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESCOc1cccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)c1
InChIInChI=1S/C20H21N3O3/c1-24-17-6-4-5-15(9-17)12-22-20(13-25-14-20)11-16-10-19(26-23-16)18-7-2-3-8-21-18/h2-10,22H,11-14H2,1H3
InChIKeySASBZGOVDSLFJC-UHFFFAOYSA-N
XLogP2.85
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775708
N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775702
3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775664
3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]oxetan-3-amine
CID 71694078
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
CID 56775535
3-propyl-5-pyridin-2-yl-1,2-oxazole
CID 89181281
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111764238
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16879407
3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole
CID 129212609
[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
CID 56775585

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (CID 56775709) is N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is COc1cccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is SASBZGOVDSLFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-24-17-6-4-5-15(9-17)12-22-20(13-25-14-20)11-16-10-19(26-23-16)18-7-2-3-8-21-18/h2-10,22H,11-14H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine has a molecular weight of 351.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 56775709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).