3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole

C12H10ClN3O — CID 146288408

IUPAC3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ccc3c(Cl)nccc32)no1
InChIInChI=1S/C12H10ClN3O/c1-8-6-9(15-17-8)7-16-5-3-10-11(16)2-4-14-12(10)13/h2-6H,7H2,1H3
InChIKeyRFXHOADQDACKNN-UHFFFAOYSA-N
MW247.69 g/mol
LogP3.03
Rot. Bonds2

About 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 146288408) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID146288408
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ccc3c(Cl)nccc32)no1
InChIInChI=1S/C12H10ClN3O/c1-8-6-9(15-17-8)7-16-5-3-10-11(16)2-4-14-12(10)13/h2-6H,7H2,1H3
InChIKeyRFXHOADQDACKNN-UHFFFAOYSA-N
XLogP3.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole 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 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 146288408) is 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2ccc3c(Cl)nccc32)no1.
What is the InChIKey of 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is RFXHOADQDACKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-6-9(15-17-8)7-16-5-3-10-11(16)2-4-14-12(10)13/h2-6H,7H2,1H3.
What are the key properties of 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 247.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 146288408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).