N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride

C12H9Cl2N3O — CID 56587816

IUPACN-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C12H8ClN3O.ClH/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11;/h1-7H,(H,15,16);1H
InChIKeyCISLMCAUOWQLOE-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.04
Rot. Bonds2

About N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride

N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride (PubChem CID 56587816) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride
PubChem CID56587816
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C12H8ClN3O.ClH/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11;/h1-7H,(H,15,16);1H
InChIKeyCISLMCAUOWQLOE-UHFFFAOYSA-N
XLogP4.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride (CID 56587816) is N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride is Cl.Clc1cccc(Nc2noc3cccnc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
The InChIKey is CISLMCAUOWQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O.ClH/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11;/h1-7H,(H,15,16);1H.
What are the key properties of N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride has a molecular weight of 282.13 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 56587816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).