6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine

C11H16N2O — CID 136697179

IUPAC6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine
SMILESCCCCC1C=Cc2c(C)noc2N1
InChIInChI=1S/C11H16N2O/c1-3-4-5-9-6-7-10-8(2)13-14-11(10)12-9/h6-7,9,12H,3-5H2,1-2H3
InChIKeyRNBHKBXGPSASHU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.98
Rot. Bonds3

About 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine

6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 136697179) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine
PubChem CID136697179
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine
SMILESCCCCC1C=Cc2c(C)noc2N1
InChIInChI=1S/C11H16N2O/c1-3-4-5-9-6-7-10-8(2)13-14-11(10)12-9/h6-7,9,12H,3-5H2,1-2H3
InChIKeyRNBHKBXGPSASHU-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-propyl-1,2-dihydropyrrol-5-one
CID 56589945
2-butyl-4-methyl-1,3-dioxole
CID 13058516
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
CID 134945146
4-butyl-4H-oxadiazol-5-one
CID 129133569
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one
CID 55299327
N-butyl-3,4-dimethyl-1,2-oxazol-5-amine
CID 154191592
N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
CID 75407605
5-butylbicyclo[2.2.1]hept-2-ene;furan-2,5-dione
CID 131731366
N-decyl-3,5-dimethyl-1,2-oxazol-4-amine
CID 150808567
[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
CID 66026290

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine (CID 136697179) is 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine is CCCCC1C=Cc2c(C)noc2N1.
What is the InChIKey of 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is RNBHKBXGPSASHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-5-9-6-7-10-8(2)13-14-11(10)12-9/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine?
6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 192.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 136697179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).