ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine

C11H18N2O — CID 171095472

IUPACethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine
SMILESCC.CC.Cc1cc2ncoc2cn1
InChIInChI=1S/C7H6N2O.2C2H6/c1-5-2-6-7(3-8-5)10-4-9-6;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyWTUZRYDECWRBKA-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.58
Rot. Bonds

About ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine

ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 171095472) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Nameethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine
PubChem CID171095472
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine
SMILESCC.CC.Cc1cc2ncoc2cn1
InChIInChI=1S/C7H6N2O.2C2H6/c1-5-2-6-7(3-8-5)10-4-9-6;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyWTUZRYDECWRBKA-UHFFFAOYSA-N
XLogP3.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
2,5-dimethylpyrazine;ethane
CID 143125119
6-isothiocyanato-5-methyl-1,3-benzoxazole
CID 119083474
5-chloro-6-fluoro-1,3-benzoxazole
CID 91514381
6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
CID 163506521
2-chloro-6-methyl-[1,3]oxazolo[4,5-c]pyridine
CID 158628216
2,6-dimethylpyrazolo[4,3-c]pyridine;ethane
CID 166543912
7-methylpyrido[3,4-e][1,2,4]triazine
CID 155348763
1,3-benzoxazol-6-amine
CID 584120
5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole
CID 59683333
7-methyl-[1,3]oxazolo[4,5-c]pyridine
CID 58957220
4,6-dimethyl-1,3-benzoxazole
CID 19990338

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine (CID 171095472) is ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine is CC.CC.Cc1cc2ncoc2cn1.
What is the InChIKey of ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is WTUZRYDECWRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.2C2H6/c1-5-2-6-7(3-8-5)10-4-9-6;2*1-2/h2-4H,1H3;2*1-2H3.
What are the key properties of ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine?
ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 194.28 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 171095472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).