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

C12H15ClN4O — CID 171778093

IUPAC5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESCN1CCC[C@@H](Nc2nc3nc(Cl)ccc3o2)C1
InChIInChI=1S/C12H15ClN4O/c1-17-6-2-3-8(7-17)14-12-16-11-9(18-12)4-5-10(13)15-11/h4-5,8H,2-3,6-7H2,1H3,(H,14,15,16)/t8-/m1/s1
InChIKeyMVSWOVVWIKDGGJ-MRVPVSSYSA-N
MW266.73 g/mol
LogP2.38
Rot. Bonds2

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

5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (PubChem CID 171778093) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
PubChem CID171778093
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESCN1CCC[C@@H](Nc2nc3nc(Cl)ccc3o2)C1
InChIInChI=1S/C12H15ClN4O/c1-17-6-2-3-8(7-17)14-12-16-11-9(18-12)4-5-10(13)15-11/h4-5,8H,2-3,6-7H2,1H3,(H,14,15,16)/t8-/m1/s1
InChIKeyMVSWOVVWIKDGGJ-MRVPVSSYSA-N
XLogP2.38
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (CID 171778093) is 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is CN1CCC[C@@H](Nc2nc3nc(Cl)ccc3o2)C1.
What is the InChIKey of 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The InChIKey is MVSWOVVWIKDGGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-17-6-2-3-8(7-17)14-12-16-11-9(18-12)4-5-10(13)15-11/h4-5,8H,2-3,6-7H2,1H3,(H,14,15,16)/t8-/m1/s1.
What are the key properties of 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine has a molecular weight of 266.73 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 171778093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).