N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine

C14H10N4O — CID 58362690

IUPACN-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3cccnc3o2)cn1
InChIInChI=1S/C14H10N4O/c1-15-12-6-4-10(9-17-12)5-7-13-18-11-3-2-8-16-14(11)19-13/h2-4,6,8-9H,1H3,(H,15,17)
InChIKeyWXRRAEGEYPQLJJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.06
Rot. Bonds1

About N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine

N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine (PubChem CID 58362690) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine
PubChem CID58362690
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC NameN-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3cccnc3o2)cn1
InChIInChI=1S/C14H10N4O/c1-15-12-6-4-10(9-17-12)5-7-13-18-11-3-2-8-16-14(11)19-13/h2-4,6,8-9H,1H3,(H,15,17)
InChIKeyWXRRAEGEYPQLJJ-UHFFFAOYSA-N
XLogP2.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine (CID 58362690) is N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine is CNc1ccc(C#Cc2nc3cccnc3o2)cn1.
What is the InChIKey of N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
The InChIKey is WXRRAEGEYPQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-15-12-6-4-10(9-17-12)5-7-13-18-11-3-2-8-16-14(11)19-13/h2-4,6,8-9H,1H3,(H,15,17).
What are the key properties of N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine has a molecular weight of 250.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine is sourced from PubChem (CID 58362690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).