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

C16H16N2O — CID 167089453

IUPAC5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)c1nc2ccc(Cc3ccccc3)nc2o1
InChIInChI=1S/C16H16N2O/c1-11(2)15-18-14-9-8-13(17-16(14)19-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyOGNSRHSRBVBVCW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.94
Rot. Bonds3

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

5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 167089453) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID167089453
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)c1nc2ccc(Cc3ccccc3)nc2o1
InChIInChI=1S/C16H16N2O/c1-11(2)15-18-14-9-8-13(17-16(14)19-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyOGNSRHSRBVBVCW-UHFFFAOYSA-N
XLogP3.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 167089504
(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357425
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074884
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
CID 144879686
2,4-dibenzylpyrimidine
CID 59375877
1-(5-benzyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-methylmethanamine
CID 117000924
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127
1-benzyl-2-propan-2-ylbenzene
CID 13215617
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 63744232
N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole
CID 164902487
benzylbenzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 160690340

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (CID 167089453) is 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is CC(C)c1nc2ccc(Cc3ccccc3)nc2o1.
What is the InChIKey of 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is OGNSRHSRBVBVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(2)15-18-14-9-8-13(17-16(14)19-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 167089453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).