[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine

C11H15N3O2 — CID 84686693

IUPAC[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
SMILESCC(C)(C)Oc1ccnc2nc(CN)oc12
InChIInChI=1S/C11H15N3O2/c1-11(2,3)16-7-4-5-13-10-9(7)15-8(6-12)14-10/h4-5H,6,12H2,1-3H3
InChIKeyXXZPZDNPFYTVKD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.86
Rot. Bonds2

About [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine

[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine (PubChem CID 84686693) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine.

Molecular Properties

Compound Name[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
PubChem CID84686693
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
SMILESCC(C)(C)Oc1ccnc2nc(CN)oc12
InChIInChI=1S/C11H15N3O2/c1-11(2,3)16-7-4-5-13-10-9(7)15-8(6-12)14-10/h4-5H,6,12H2,1-3H3
InChIKeyXXZPZDNPFYTVKD-UHFFFAOYSA-N
XLogP1.86
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine with MolForge

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Related Compounds

(7-propan-2-yloxy-[1,3]oxazolo[5,4-b]pyridin-2-yl)methanamine
CID 84675069
[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
CID 118814572
(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine
CID 84663370
(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine
CID 105433844
2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 901709
3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
CID 174313071
4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine
CID 22248165
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
[2-iodo-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092403
3,4-bis[(2-methylpropan-2-yl)oxy]pyridazine
CID 141165682
(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
CID 84655980

Frequently Asked Questions

What is the IUPAC name of [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
The IUPAC name of [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine (CID 84686693) is [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine.
What is the SMILES notation for [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
The canonical SMILES for [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine is CC(C)(C)Oc1ccnc2nc(CN)oc12.
What is the InChIKey of [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
The InChIKey is XXZPZDNPFYTVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2,3)16-7-4-5-13-10-9(7)15-8(6-12)14-10/h4-5H,6,12H2,1-3H3.
What are the key properties of [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine?
[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine has a molecular weight of 221.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine is sourced from PubChem (CID 84686693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).