1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine

C13H16N2O3 — CID 119125663

IUPAC1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2cocn2)c1OC
InChIInChI=1S/C13H16N2O3/c1-16-12-5-3-4-10(13(12)17-2)6-14-7-11-8-18-9-15-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyBMTZJIYQIBYXSL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.98
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine

1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine (PubChem CID 119125663) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
PubChem CID119125663
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2cocn2)c1OC
InChIInChI=1S/C13H16N2O3/c1-16-12-5-3-4-10(13(12)17-2)6-14-7-11-8-18-9-15-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyBMTZJIYQIBYXSL-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

1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182988
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-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
2,6-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718905
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623107
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 56682809
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine (CID 119125663) is 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine is COc1cccc(CNCc2cocn2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
The InChIKey is BMTZJIYQIBYXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-16-12-5-3-4-10(13(12)17-2)6-14-7-11-8-18-9-15-11/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-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-(1,3-oxazol-4-ylmethyl)methanamine is sourced from PubChem (CID 119125663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).