2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine

C13H10ClN3O2 — CID 82337788

IUPAC2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine
SMILESNc1cnc2oc(COc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C13H10ClN3O2/c14-8-1-3-10(4-2-8)18-7-12-17-11-5-9(15)6-16-13(11)19-12/h1-6H,7,15H2
InChIKeyIBTCGLPNBLLOLD-UHFFFAOYSA-N
MW275.70 g/mol
LogP3.04
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine

2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine (PubChem CID 82337788) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine
PubChem CID82337788
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine
SMILESNc1cnc2oc(COc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C13H10ClN3O2/c14-8-1-3-10(4-2-8)18-7-12-17-11-5-9(15)6-16-13(11)19-12/h1-6H,7,15H2
InChIKeyIBTCGLPNBLLOLD-UHFFFAOYSA-N
XLogP3.04
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine (CID 82337788) is 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine is Nc1cnc2oc(COc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine?
The InChIKey is IBTCGLPNBLLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-8-1-3-10(4-2-8)18-7-12-17-11-5-9(15)6-16-13(11)19-12/h1-6H,7,15H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine?
2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine has a molecular weight of 275.70 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 82337788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).