2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine

C14H13N3O — CID 89434393

IUPAC2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)c1cncc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C14H13N3O/c1-9(2)10-6-11(8-15-7-10)14-17-13-12(18-14)4-3-5-16-13/h3-9H,1-2H3
InChIKeyBRYWAAQTHOHTRZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.41
Rot. Bonds2

About 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine

2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 89434393) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID89434393
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)c1cncc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C14H13N3O/c1-9(2)10-6-11(8-15-7-10)14-17-13-12(18-14)4-3-5-16-13/h3-9H,1-2H3
InChIKeyBRYWAAQTHOHTRZ-UHFFFAOYSA-N
XLogP3.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

MK-3328
CID 44555286
4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 19
CID 6539753
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176
1-[1,3]Oxazolo[4,5-b]pyridin-2-yloctan-1-one
CID 22486174

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine (CID 89434393) is 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine is CC(C)c1cncc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is BRYWAAQTHOHTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9(2)10-6-11(8-15-7-10)14-17-13-12(18-14)4-3-5-16-13/h3-9H,1-2H3.
What are the key properties of 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 239.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 89434393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).