2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline

C12H8ClN3O — CID 28692665

IUPAC2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
SMILESNc1cc(-c2nc3cnccc3o2)ccc1Cl
InChIInChI=1S/C12H8ClN3O/c13-8-2-1-7(5-9(8)14)12-16-10-6-15-4-3-11(10)17-12/h1-6H,14H2
InChIKeyHIXYKQJOJGVLDK-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.13
Rot. Bonds1

About 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline

2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline (PubChem CID 28692665) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
PubChem CID28692665
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
SMILESNc1cc(-c2nc3cnccc3o2)ccc1Cl
InChIInChI=1S/C12H8ClN3O/c13-8-2-1-7(5-9(8)14)12-16-10-6-15-4-3-11(10)17-12/h1-6H,14H2
InChIKeyHIXYKQJOJGVLDK-UHFFFAOYSA-N
XLogP3.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
2-(2,5-dichlorophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677485
2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677478
N-[2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 39349143
2-chloro-5-[5-[(2R)-pentan-2-yl]-1,3-benzoxazol-2-yl]aniline
CID 960798
2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39341655
5-chloro-2-(3-chloro-4-iodophenyl)-1,3-benzoxazol-6-amine
CID 103220838
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]methylthiourea
CID 30031811
methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate
CID 66864810
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?
The IUPAC name of 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline (CID 28692665) is 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?
The canonical SMILES for 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline is Nc1cc(-c2nc3cnccc3o2)ccc1Cl.
What is the InChIKey of 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?
The InChIKey is HIXYKQJOJGVLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-2-1-7(5-9(8)14)12-16-10-6-15-4-3-11(10)17-12/h1-6H,14H2.
What are the key properties of 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?
2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline has a molecular weight of 245.67 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline is sourced from PubChem (CID 28692665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).