6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine

C14H11ClN2O — CID 82337689

IUPAC6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nc3cc(Cl)cnc3o2)cc1C
InChIInChI=1S/C14H11ClN2O/c1-8-3-4-10(5-9(8)2)13-17-12-6-11(15)7-16-14(12)18-13/h3-7H,1-2H3
InChIKeyNRUCCTKXQVTBIZ-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.16
Rot. Bonds1

About 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine

6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337689) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337689
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nc3cc(Cl)cnc3o2)cc1C
InChIInChI=1S/C14H11ClN2O/c1-8-3-4-10(5-9(8)2)13-17-12-6-11(15)7-16-14(12)18-13/h3-7H,1-2H3
InChIKeyNRUCCTKXQVTBIZ-UHFFFAOYSA-N
XLogP4.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-2-(4-methyl-3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337729
6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337691
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
6-chloro-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
CID 82337706
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82338039
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 736272
2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 82337778
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337467
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine (CID 82337689) is 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine is Cc1ccc(-c2nc3cc(Cl)cnc3o2)cc1C.
What is the InChIKey of 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is NRUCCTKXQVTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-3-4-10(5-9(8)2)13-17-12-6-11(15)7-16-14(12)18-13/h3-7H,1-2H3.
What are the key properties of 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine?
6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 258.71 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).