1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine

C15H15N3O2 — CID 117000807

IUPAC1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine
SMILESCNCc1nc2ncc(-c3ccccc3OC)cc2o1
InChIInChI=1S/C15H15N3O2/c1-16-9-14-18-15-13(20-14)7-10(8-17-15)11-5-3-4-6-12(11)19-2/h3-8,16H,9H2,1-2H3
InChIKeyLTIRSALAWQBURN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds4

About 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine

1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine (PubChem CID 117000807) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine
PubChem CID117000807
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine
SMILESCNCc1nc2ncc(-c3ccccc3OC)cc2o1
InChIInChI=1S/C15H15N3O2/c1-16-9-14-18-15-13(20-14)7-10(8-17-15)11-5-3-4-6-12(11)19-2/h3-8,16H,9H2,1-2H3
InChIKeyLTIRSALAWQBURN-UHFFFAOYSA-N
XLogP2.62
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine
CID 117000835
[2-amino-5-(2-methoxyphenyl)-3-pyridinyl]methanol
CID 115037715
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 123855828
1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine
CID 117000924
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117000658
2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
CID 115036600
5-(2-methoxyphenyl)-3-(trifluoromethyl)pyridin-2-amine
CID 139370325
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine (CID 117000807) is 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine is CNCc1nc2ncc(-c3ccccc3OC)cc2o1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine?
The InChIKey is LTIRSALAWQBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-9-14-18-15-13(20-14)7-10(8-17-15)11-5-3-4-6-12(11)19-2/h3-8,16H,9H2,1-2H3.
What are the key properties of 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine?
1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine has a molecular weight of 269.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 117000807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).