N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

C19H19N5O — CID 134805337

IUPACN-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCCn3ccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H19N5O/c1-14-18-19(25-23-14)17(21-8-5-10-24-11-9-20-13-24)12-16(22-18)15-6-3-2-4-7-15/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,21,22)
InChIKeyQLMWDYXOVHRZEZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.90
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134805337) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134805337
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCCn3ccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H19N5O/c1-14-18-19(25-23-14)17(21-8-5-10-24-11-9-20-13-24)12-16(22-18)15-6-3-2-4-7-15/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,21,22)
InChIKeyQLMWDYXOVHRZEZ-UHFFFAOYSA-N
XLogP3.90
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134805337) is N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NCCCn3ccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is QLMWDYXOVHRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-18-19(25-23-14)17(21-8-5-10-24-11-9-20-13-24)12-16(22-18)15-6-3-2-4-7-15/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,21,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 333.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134805337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).