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

C14H11ClN2O — CID 151529982

IUPAC2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCCc1c(Cl)cccc1-c1nc2ncccc2o1
InChIInChI=1S/C14H11ClN2O/c1-2-9-10(5-3-6-11(9)15)14-17-13-12(18-14)7-4-8-16-13/h3-8H,2H2,1H3
InChIKeyPWGNQVHDFLAFAK-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.11
Rot. Bonds2

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

2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 151529982) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID151529982
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCCc1c(Cl)cccc1-c1nc2ncccc2o1
InChIInChI=1S/C14H11ClN2O/c1-2-9-10(5-3-6-11(9)15)14-17-13-12(18-14)7-4-8-16-13/h3-8H,2H2,1H3
InChIKeyPWGNQVHDFLAFAK-UHFFFAOYSA-N
XLogP4.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 95911073
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1364042
[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl] propane-1-sulfonate
CID 42813763
N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 2996752
[5-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl] 2,3-dichlorobenzenesulfonate
CID 83290165
N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 17219378
2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91678562
2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91684021
2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104995
2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1361161
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 4008641

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 151529982) is 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine is CCc1c(Cl)cccc1-c1nc2ncccc2o1.
What is the InChIKey of 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is PWGNQVHDFLAFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-2-9-10(5-3-6-11(9)15)14-17-13-12(18-14)7-4-8-16-13/h3-8H,2H2,1H3.
What are the key properties of 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 258.71 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 151529982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).