N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine

C15H15N3O — CID 22754796

IUPACN,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C15H15N3O/c1-18(2)10-11-5-3-6-12(9-11)15-17-14-13(19-15)7-4-8-16-14/h3-9H,10H2,1-2H3
InChIKeyJOHHAHKGSCECNA-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.95
Rot. Bonds3

About N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine

N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine (PubChem CID 22754796) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
PubChem CID22754796
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC NameN,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C15H15N3O/c1-18(2)10-11-5-3-6-12(9-11)15-17-14-13(19-15)7-4-8-16-14/h3-9H,10H2,1-2H3
InChIKeyJOHHAHKGSCECNA-UHFFFAOYSA-N
XLogP2.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine (CID 22754796) is N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine is CN(C)Cc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
The InChIKey is JOHHAHKGSCECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(2)10-11-5-3-6-12(9-11)15-17-14-13(19-15)7-4-8-16-14/h3-9H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine has a molecular weight of 253.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine is sourced from PubChem (CID 22754796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).