6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine

C14H20N2O — CID 170416217

IUPAC6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nc(C(C)C)c2c(C(C)C)noc2c1C
InChIInChI=1S/C14H20N2O/c1-7(2)12-11-13(8(3)4)16-17-14(11)9(5)10(6)15-12/h7-8H,1-6H3
InChIKeyUPBBXRRMZMRTJG-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.09
Rot. Bonds2

About 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine

6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 170416217) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine
PubChem CID170416217
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nc(C(C)C)c2c(C(C)C)noc2c1C
InChIInChI=1S/C14H20N2O/c1-7(2)12-11-13(8(3)4)16-17-14(11)9(5)10(6)15-12/h7-8H,1-6H3
InChIKeyUPBBXRRMZMRTJG-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine (CID 170416217) is 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine is Cc1nc(C(C)C)c2c(C(C)C)noc2c1C.
What is the InChIKey of 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is UPBBXRRMZMRTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-7(2)12-11-13(8(3)4)16-17-14(11)9(5)10(6)15-12/h7-8H,1-6H3.
What are the key properties of 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine?
6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 232.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 170416217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).