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

C13H9ClN2O — CID 84704658

IUPAC5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3nc(Cl)ccc3o2)c1
InChIInChI=1S/C13H9ClN2O/c1-8-3-2-4-9(7-8)13-16-12-10(17-13)5-6-11(14)15-12/h2-7H,1H3
InChIKeyRSDACZGPDNXFAU-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.85
Rot. Bonds1

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

5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 84704658) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID84704658
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3nc(Cl)ccc3o2)c1
InChIInChI=1S/C13H9ClN2O/c1-8-3-2-4-9(7-8)13-16-12-10(17-13)5-6-11(14)15-12/h2-7H,1H3
InChIKeyRSDACZGPDNXFAU-UHFFFAOYSA-N
XLogP3.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3-methylphenyl)benzo[e][1,3]benzoxazole
CID 95911000
5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 24904041
2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine
CID 84661804
3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 143409028
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
2-chloro-5-methyl-4-(3-methylphenyl)-1,3-oxazole
CID 67982855
2-[3-[9,9-dimethyl-7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 59738976
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23771066
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 84704658) is 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine is Cc1cccc(-c2nc3nc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is RSDACZGPDNXFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-8-3-2-4-9(7-8)13-16-12-10(17-13)5-6-11(14)15-12/h2-7H,1H3.
What are the key properties of 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 244.68 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 84704658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).