N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine

C13H10ClN3O — CID 53375207

IUPACN-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCc1cc(Nc2noc3cccnc23)ccc1Cl
InChIInChI=1S/C13H10ClN3O/c1-8-7-9(4-5-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyBFFFDOWLMCMBKX-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.93
Rot. Bonds2

About N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine

N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53375207) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53375207
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC NameN-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCc1cc(Nc2noc3cccnc23)ccc1Cl
InChIInChI=1S/C13H10ClN3O/c1-8-7-9(4-5-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyBFFFDOWLMCMBKX-UHFFFAOYSA-N
XLogP3.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53375207) is N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is Cc1cc(Nc2noc3cccnc23)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is BFFFDOWLMCMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-8-7-9(4-5-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 259.70 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53375207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).