1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C13H16N2O3 — CID 106415154

IUPAC1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2ccno2)c1OC
InChIInChI=1S/C13H16N2O3/c1-16-12-5-3-4-10(13(12)17-2)8-14-9-11-6-7-15-18-11/h3-7,14H,8-9H2,1-2H3
InChIKeyAKPCBYYFARHLAY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.98
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 106415154) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID106415154
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2ccno2)c1OC
InChIInChI=1S/C13H16N2O3/c1-16-12-5-3-4-10(13(12)17-2)8-14-9-11-6-7-15-18-11/h3-7,14H,8-9H2,1-2H3
InChIKeyAKPCBYYFARHLAY-UHFFFAOYSA-N
XLogP1.98
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 106415689
1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023
(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(1,2-oxazol-5-ylmethylamino)methyl]piperidin-2-one
CID 95203880
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
CID 106419042
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 60957867
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 106415154) is 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is COc1cccc(CNCc2ccno2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is AKPCBYYFARHLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-16-12-5-3-4-10(13(12)17-2)8-14-9-11-6-7-15-18-11/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 248.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 106415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).