7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine

C10H14N2O — CID 170960607

IUPAC7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine
SMILESCCC(C)c1ccnc2c1OCN2
InChIInChI=1S/C10H14N2O/c1-3-7(2)8-4-5-11-10-9(8)13-6-12-10/h4-5,7H,3,6H2,1-2H3,(H,11,12)
InChIKeyVULZQLJYJIOPES-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds2

About 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine

7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 170960607) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine
PubChem CID170960607
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine
SMILESCCC(C)c1ccnc2c1OCN2
InChIInChI=1S/C10H14N2O/c1-3-7(2)8-4-5-11-10-9(8)13-6-12-10/h4-5,7H,3,6H2,1-2H3,(H,11,12)
InChIKeyVULZQLJYJIOPES-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-di(butan-2-yl)-1,10-phenanthroline;ruthenium
CID 58161913
4-butan-2-ylpyridine-2,3-diamine
CID 175182735
7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen
CID 144881517
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
4-butan-2-yl-3-methylpyridine
CID 66641815
4-butan-2-ylpyridine-2,3-dicarboxamide
CID 67796914
(2R)-2-ethyl-8-propan-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 167064046
5-(7-butan-2-yl-1,3-benzodioxol-4-yl)-2-propan-2-yl-1H-imidazole;ethane;molecular hydrogen
CID 144563634
5-butan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 137426093
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-butan-2-yl-1H-pyrimidine-6-thione
CID 106476513
(2-butan-2-ylphenyl)-trimethylsilane
CID 140917307

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine (CID 170960607) is 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine is CCC(C)c1ccnc2c1OCN2.
What is the InChIKey of 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is VULZQLJYJIOPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-7(2)8-4-5-11-10-9(8)13-6-12-10/h4-5,7H,3,6H2,1-2H3,(H,11,12).
What are the key properties of 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine?
7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 178.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 170960607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).