[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C21H19N5O3 — CID 70798441

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC6CCC(C5)O6)n4c3)ccc2o1
InChIInChI=1S/C21H19N5O3/c22-21-24-16-7-12(1-5-18(16)29-21)13-2-6-19-23-8-17(26(19)9-13)20(27)25-10-14-3-4-15(11-25)28-14/h1-2,5-9,14-15H,3-4,10-11H2,(H2,22,24)
InChIKeyUMPHKJHUXLTCMQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.73
Rot. Bonds2

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 70798441) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID70798441
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC6CCC(C5)O6)n4c3)ccc2o1
InChIInChI=1S/C21H19N5O3/c22-21-24-16-7-12(1-5-18(16)29-21)13-2-6-19-23-8-17(26(19)9-13)20(27)25-10-14-3-4-15(11-25)28-14/h1-2,5-9,14-15H,3-4,10-11H2,(H2,22,24)
InChIKeyUMPHKJHUXLTCMQ-UHFFFAOYSA-N
XLogP2.73
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 70798441) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CC6CCC(C5)O6)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is UMPHKJHUXLTCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c22-21-24-16-7-12(1-5-18(16)29-21)13-2-6-19-23-8-17(26(19)9-13)20(27)25-10-14-3-4-15(11-25)28-14/h1-2,5-9,14-15H,3-4,10-11H2,(H2,22,24).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 389.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 70798441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).