5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine

C10H12N2O — CID 82337940

IUPAC5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCCCc1nc2ccc(C)nc2o1
InChIInChI=1S/C10H12N2O/c1-3-4-9-12-8-6-5-7(2)11-10(8)13-9/h5-6H,3-4H2,1-2H3
InChIKeyISCJBWXXNTZTMN-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.48
Rot. Bonds2

About 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine

5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337940) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337940
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCCCc1nc2ccc(C)nc2o1
InChIInChI=1S/C10H12N2O/c1-3-4-9-12-8-6-5-7(2)11-10(8)13-9/h5-6H,3-4H2,1-2H3
InChIKeyISCJBWXXNTZTMN-UHFFFAOYSA-N
XLogP2.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine (CID 82337940) is 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine is CCCc1nc2ccc(C)nc2o1.
What is the InChIKey of 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ISCJBWXXNTZTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-4-9-12-8-6-5-7(2)11-10(8)13-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine?
5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).