[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine

C14H19N3O2 — CID 62412644

IUPAC[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
SMILESCOc1cccc(CN(C)Cc2cc(CN)no2)c1
InChIInChI=1S/C14H19N3O2/c1-17(10-14-7-12(8-15)16-19-14)9-11-4-3-5-13(6-11)18-2/h3-7H,8-10,15H2,1-2H3
InChIKeyCFOXOEDAEHFQCA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.77
Rot. Bonds6

About [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine

[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62412644) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62412644
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
SMILESCOc1cccc(CN(C)Cc2cc(CN)no2)c1
InChIInChI=1S/C14H19N3O2/c1-17(10-14-7-12(8-15)16-19-14)9-11-4-3-5-13(6-11)18-2/h3-7H,8-10,15H2,1-2H3
InChIKeyCFOXOEDAEHFQCA-UHFFFAOYSA-N
XLogP1.77
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine with MolForge

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N'-[(3-methoxyphenyl)methyl]-N'-methylbut-2-ene-1,4-diamine
CID 77110782
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117038966
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
CID 171328466
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62463600

Frequently Asked Questions

What is the IUPAC name of [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine (CID 62412644) is [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine is COc1cccc(CN(C)Cc2cc(CN)no2)c1.
What is the InChIKey of [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is CFOXOEDAEHFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(10-14-7-12(8-15)16-19-14)9-11-4-3-5-13(6-11)18-2/h3-7H,8-10,15H2,1-2H3.
What are the key properties of [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine?
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62412644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).