2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine

C16H17N3O — CID 117000835

IUPAC2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine
SMILESCc1cccc(-c2cnc3nc(CCN)oc3c2)c1C
InChIInChI=1S/C16H17N3O/c1-10-4-3-5-13(11(10)2)12-8-14-16(18-9-12)19-15(20-14)6-7-17/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyQJUDQSDDUXQSTL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.01
Rot. Bonds3

About 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine

2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine (PubChem CID 117000835) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine
PubChem CID117000835
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine
SMILESCc1cccc(-c2cnc3nc(CCN)oc3c2)c1C
InChIInChI=1S/C16H17N3O/c1-10-4-3-5-13(11(10)2)12-8-14-16(18-9-12)19-15(20-14)6-7-17/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyQJUDQSDDUXQSTL-UHFFFAOYSA-N
XLogP3.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine
CID 117000807
2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine
CID 117000119
2-[2-(2,3-dimethylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866338
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
CID 62549550
2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82288890
2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
5-(2,3-dimethylphenyl)-1H-pyrimidin-2-one
CID 39781837
2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337490
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
CID 117000796

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine (CID 117000835) is 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine is Cc1cccc(-c2cnc3nc(CCN)oc3c2)c1C.
What is the InChIKey of 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine?
The InChIKey is QJUDQSDDUXQSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-4-3-5-13(11(10)2)12-8-14-16(18-9-12)19-15(20-14)6-7-17/h3-5,8-9H,6-7,17H2,1-2H3.
What are the key properties of 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine?
2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine is sourced from PubChem (CID 117000835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).