6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

C16H17N5O — CID 3236515

IUPAC6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)(C)c1noc2c1C(c1cccnc1)C(C#N)=C(N)N2
InChIInChI=1S/C16H17N5O/c1-16(2,3)13-12-11(9-5-4-6-19-8-9)10(7-17)14(18)20-15(12)22-21-13/h4-6,8,11,20H,18H2,1-3H3
InChIKeyDGCUDDLKLPZPBZ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.62
Rot. Bonds1

About 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 3236515) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID3236515
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)(C)c1noc2c1C(c1cccnc1)C(C#N)=C(N)N2
InChIInChI=1S/C16H17N5O/c1-16(2,3)13-12-11(9-5-4-6-19-8-9)10(7-17)14(18)20-15(12)22-21-13/h4-6,8,11,20H,18H2,1-3H3
InChIKeyDGCUDDLKLPZPBZ-UHFFFAOYSA-N
XLogP2.62
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile (CID 3236515) is 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile is CC(C)(C)c1noc2c1C(c1cccnc1)C(C#N)=C(N)N2.
What is the InChIKey of 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is DGCUDDLKLPZPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2,3)13-12-11(9-5-4-6-19-8-9)10(7-17)14(18)20-15(12)22-21-13/h4-6,8,11,20H,18H2,1-3H3.
What are the key properties of 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 3236515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).