4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine

C14H14BrN5O2 — CID 148760399

IUPAC4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESNc1noc2c(-c3cnn(C4CCCCO4)c3)cnc(Br)c12
InChIInChI=1S/C14H14BrN5O2/c15-13-11-12(22-19-14(11)16)9(6-17-13)8-5-18-20(7-8)10-3-1-2-4-21-10/h5-7,10H,1-4H2,(H2,16,19)
InChIKeyOGLAFHMYVSFZTG-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.13
Rot. Bonds2

About 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine

4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 148760399) has the molecular formula C14H14BrN5O2 and a molecular weight of 364.20 g/mol. Its IUPAC name is 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID148760399
Molecular FormulaC14H14BrN5O2
Molecular Weight364.20 g/mol
Exact Mass363.03
IUPAC Name4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESNc1noc2c(-c3cnn(C4CCCCO4)c3)cnc(Br)c12
InChIInChI=1S/C14H14BrN5O2/c15-13-11-12(22-19-14(11)16)9(6-17-13)8-5-18-20(7-8)10-3-1-2-4-21-10/h5-7,10H,1-4H2,(H2,16,19)
InChIKeyOGLAFHMYVSFZTG-UHFFFAOYSA-N
XLogP3.13
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 148760399) is 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine is Nc1noc2c(-c3cnn(C4CCCCO4)c3)cnc(Br)c12.
What is the InChIKey of 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is OGLAFHMYVSFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O2/c15-13-11-12(22-19-14(11)16)9(6-17-13)8-5-18-20(7-8)10-3-1-2-4-21-10/h5-7,10H,1-4H2,(H2,16,19).
What are the key properties of 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine?
4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 364.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 148760399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).