5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

C8H8ClN3O — CID 5305899

IUPAC5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCc1nc2onc(N)c2c(C)c1Cl
InChIInChI=1S/C8H8ClN3O/c1-3-5-7(10)12-13-8(5)11-4(2)6(3)9/h1-2H3,(H2,10,12)
InChIKeyXEYWCHKONZUDGB-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.08
Rot. Bonds

About 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 5305899) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID5305899
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCc1nc2onc(N)c2c(C)c1Cl
InChIInChI=1S/C8H8ClN3O/c1-3-5-7(10)12-13-8(5)11-4(2)6(3)9/h1-2H3,(H2,10,12)
InChIKeyXEYWCHKONZUDGB-UHFFFAOYSA-N
XLogP2.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 5305899) is 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine is Cc1nc2onc(N)c2c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is XEYWCHKONZUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-3-5-7(10)12-13-8(5)11-4(2)6(3)9/h1-2H3,(H2,10,12).
What are the key properties of 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 197.62 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 5305899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).