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

C15H15N3O — CID 117000924

IUPAC1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine
SMILESCNCc1nc2nc(Cc3ccccc3)ccc2o1
InChIInChI=1S/C15H15N3O/c1-16-10-14-18-15-13(19-14)8-7-12(17-15)9-11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3
InChIKeyOHTNYPBUGOUSKA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.53
Rot. Bonds4

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

1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine (PubChem CID 117000924) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine
PubChem CID117000924
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine
SMILESCNCc1nc2nc(Cc3ccccc3)ccc2o1
InChIInChI=1S/C15H15N3O/c1-16-10-14-18-15-13(19-14)8-7-12(17-15)9-11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3
InChIKeyOHTNYPBUGOUSKA-UHFFFAOYSA-N
XLogP2.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[6-(2-phenylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
CID 117000796
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
CID 82230271
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
1-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 43554598
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
1-[6-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-N-methylmethanamine
CID 117000807
1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843134
5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 167089453
N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230283
2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine (CID 117000924) is 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine is CNCc1nc2nc(Cc3ccccc3)ccc2o1.
What is the InChIKey of 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine?
The InChIKey is OHTNYPBUGOUSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-16-10-14-18-15-13(19-14)8-7-12(17-15)9-11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine?
1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine has a molecular weight of 253.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 117000924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).