[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine

C12H14N2O3 — CID 82389813

IUPAC[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCOc1cccc(-c2nocc2CN)c1OC
InChIInChI=1S/C12H14N2O3/c1-15-10-5-3-4-9(12(10)16-2)11-8(6-13)7-17-14-11/h3-5,7H,6,13H2,1-2H3
InChIKeyIOKIZRKLPFGOLO-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds4

About [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine

[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82389813) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82389813
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCOc1cccc(-c2nocc2CN)c1OC
InChIInChI=1S/C12H14N2O3/c1-15-10-5-3-4-9(12(10)16-2)11-8(6-13)7-17-14-11/h3-5,7H,6,13H2,1-2H3
InChIKeyIOKIZRKLPFGOLO-UHFFFAOYSA-N
XLogP1.82
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
CID 82794447
2-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794174
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946
[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
CID 82793495
4-iodo-3-(2-methoxyphenyl)-1,2-oxazole
CID 53254672
[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703426
2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069714
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79556610

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine (CID 82389813) is [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine is COc1cccc(-c2nocc2CN)c1OC.
What is the InChIKey of [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is IOKIZRKLPFGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-10-5-3-4-9(12(10)16-2)11-8(6-13)7-17-14-11/h3-5,7H,6,13H2,1-2H3.
What are the key properties of [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 234.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82389813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).