[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine

C12H14N2O3 — CID 82083022

IUPAC[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1cccc(OC)c1-c1ncc(CN)o1
InChIInChI=1S/C12H14N2O3/c1-15-9-4-3-5-10(16-2)11(9)12-14-7-8(6-13)17-12/h3-5,7H,6,13H2,1-2H3
InChIKeySCJYEOOZOCURQL-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds4

About [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine

[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 82083022) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
PubChem CID82083022
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1cccc(OC)c1-c1ncc(CN)o1
InChIInChI=1S/C12H14N2O3/c1-15-9-4-3-5-10(16-2)11(9)12-14-7-8(6-13)17-12/h3-5,7H,6,13H2,1-2H3
InChIKeySCJYEOOZOCURQL-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

[2-(4-fluorophenyl)-1,3-oxazol-5-yl]methanamine
CID 82075704
[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62451638
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
5-methoxyisoquinoline-1,4-diamine
CID 84661992
[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
CID 106888051
[5-(2-methoxyphenoxy)furan-2-yl]methanamine
CID 28815260
6-(2,6-dimethoxyphenyl)pyridin-3-amine
CID 83918397
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62449636
[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117182688
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine (CID 82083022) is [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine is COc1cccc(OC)c1-c1ncc(CN)o1.
What is the InChIKey of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is SCJYEOOZOCURQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-9-4-3-5-10(16-2)11(9)12-14-7-8(6-13)17-12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-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 [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 82083022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).