N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine

C16H17N3O — CID 117000796

IUPACN-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
SMILESCNCc1nc2ncc(CCc3ccccc3)cc2o1
InChIInChI=1S/C16H17N3O/c1-17-11-15-19-16-14(20-15)9-13(10-18-16)8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyCMAFFNDIBDYELS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine

N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine (PubChem CID 117000796) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
PubChem CID117000796
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
SMILESCNCc1nc2ncc(CCc3ccccc3)cc2o1
InChIInChI=1S/C16H17N3O/c1-17-11-15-19-16-14(20-15)9-13(10-18-16)8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyCMAFFNDIBDYELS-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine
CID 117000807
1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine
CID 117000924
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
CID 82230271
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
6-methyl-2-(2-phenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337860
[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]boronic acid
CID 44520555
1-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 43554598
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
2-(methylaminomethyl)-N-(5H-pyrimido[5,4-d][2]benzazepin-2-yl)-1,3-benzoxazol-6-amine
CID 156686075
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine (CID 117000796) is N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine is CNCc1nc2ncc(CCc3ccccc3)cc2o1.
What is the InChIKey of N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
The InChIKey is CMAFFNDIBDYELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-17-11-15-19-16-14(20-15)9-13(10-18-16)8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine is sourced from PubChem (CID 117000796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).