ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine

C9H12N2O — CID 167523336

IUPACethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC.Cc1nccc2oncc12
InChIInChI=1S/C7H6N2O.C2H6/c1-5-6-4-9-10-7(6)2-3-8-5;1-2/h2-4H,1H3;1-2H3
InChIKeySGWTWWFWWRDKEL-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.56
Rot. Bonds

About ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine

ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 167523336) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID167523336
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Nameethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC.Cc1nccc2oncc12
InChIInChI=1S/C7H6N2O.C2H6/c1-5-6-4-9-10-7(6)2-3-8-5;1-2/h2-4H,1H3;1-2H3
InChIKeySGWTWWFWWRDKEL-UHFFFAOYSA-N
XLogP2.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine (CID 167523336) is ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine is CC.Cc1nccc2oncc12.
What is the InChIKey of ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is SGWTWWFWWRDKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.C2H6/c1-5-6-4-9-10-7(6)2-3-8-5;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine?
ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 164.21 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 167523336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).