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

C20H21N3O3 — CID 56775708

IUPACN-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESCOc1ccccc1CNC1(Cc2cc(-c3ccccn3)on2)COC1
InChIInChI=1S/C20H21N3O3/c1-24-18-8-3-2-6-15(18)12-22-20(13-25-14-20)11-16-10-19(26-23-16)17-7-4-5-9-21-17/h2-10,22H,11-14H2,1H3
InChIKeyCXNVPMYUQRRCMN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.85
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (PubChem CID 56775708) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
PubChem CID56775708
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESCOc1ccccc1CNC1(Cc2cc(-c3ccccn3)on2)COC1
InChIInChI=1S/C20H21N3O3/c1-24-18-8-3-2-6-15(18)12-22-20(13-25-14-20)11-16-10-19(26-23-16)17-7-4-5-9-21-17/h2-10,22H,11-14H2,1H3
InChIKeyCXNVPMYUQRRCMN-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-[(2-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-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775709
N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775702
N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775697
3-propyl-5-pyridin-2-yl-1,2-oxazole
CID 89181281
3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]oxetan-3-amine
CID 71694078
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole
CID 129212609
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol
CID 56775736
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (CID 56775708) is N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is COc1ccccc1CNC1(Cc2cc(-c3ccccn3)on2)COC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is CXNVPMYUQRRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-24-18-8-3-2-6-15(18)12-22-20(13-25-14-20)11-16-10-19(26-23-16)17-7-4-5-9-21-17/h2-10,22H,11-14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
N-[(2-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-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 56775708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).