2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine

C9H10N2O — CID 23540784

IUPAC2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
SMILESCC(C)c1nc2ccncc2o1
InChIInChI=1S/C9H10N2O/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h3-6H,1-2H3
InChIKeyYFVVTAIUOBPOQE-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.35
Rot. Bonds1

About 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine

2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 23540784) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
PubChem CID23540784
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
SMILESCC(C)c1nc2ccncc2o1
InChIInChI=1S/C9H10N2O/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h3-6H,1-2H3
InChIKeyYFVVTAIUOBPOQE-UHFFFAOYSA-N
XLogP2.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
(2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
CID 5927487
3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
CID 659689
(9z)-1-[1,3]Oxazolo[5,4-c]pyridin-2-yloctadec-9-en-1-one
CID 44452880
Benzoxazole, 2-(2-pyridinyl)-
CID 135005
2-(Pyridin-4-yl)-1,3-benzoxazole
CID 16804
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)pentanamide
CID 1849635
1-(Oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one
CID 44589316
2-Pyridin-2-yl-benzooxazol-5-ylamine
CID 611070
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide
CID 659819
2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155553595
2-Pyridin-4-yl-benzooxazol-5-ylamine
CID 736009

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine (CID 23540784) is 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine is CC(C)c1nc2ccncc2o1.
What is the InChIKey of 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is YFVVTAIUOBPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 162.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 23540784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).