(6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol

C12H16N2O2 — CID 121209396

IUPAC(6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol
SMILESCc1noc2nc(C(C)(C)C)cc(CO)c12
InChIInChI=1S/C12H16N2O2/c1-7-10-8(6-15)5-9(12(2,3)4)13-11(10)16-14-7/h5,15H,6H2,1-4H3
InChIKeyFWNGBGWXKWHYHM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds1

About (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol

(6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol (PubChem CID 121209396) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol.

Molecular Properties

Compound Name(6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol
PubChem CID121209396
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol
SMILESCc1noc2nc(C(C)(C)C)cc(CO)c12
InChIInChI=1S/C12H16N2O2/c1-7-10-8(6-15)5-9(12(2,3)4)13-11(10)16-14-7/h5,15H,6H2,1-4H3
InChIKeyFWNGBGWXKWHYHM-UHFFFAOYSA-N
XLogP2.32
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol?
The IUPAC name of (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol (CID 121209396) is (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol.
What is the SMILES notation for (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol?
The canonical SMILES for (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol is Cc1noc2nc(C(C)(C)C)cc(CO)c12.
What is the InChIKey of (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol?
The InChIKey is FWNGBGWXKWHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-10-8(6-15)5-9(12(2,3)4)13-11(10)16-14-7/h5,15H,6H2,1-4H3.
What are the key properties of (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol?
(6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol has a molecular weight of 220.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanol is sourced from PubChem (CID 121209396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).