5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

C11H14N4O — CID 2991983

IUPAC5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(o1)NC(N)=C(C#N)C2C(C)C
InChIInChI=1S/C11H14N4O/c1-5(2)8-7(4-12)10(13)15-11-9(8)14-6(3)16-11/h5,8,15H,13H2,1-3H3
InChIKeyANYNCCOOMNSLJM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds1

About 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 2991983) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID2991983
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(o1)NC(N)=C(C#N)C2C(C)C
InChIInChI=1S/C11H14N4O/c1-5(2)8-7(4-12)10(13)15-11-9(8)14-6(3)16-11/h5,8,15H,13H2,1-3H3
InChIKeyANYNCCOOMNSLJM-UHFFFAOYSA-N
XLogP1.84
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 2991983) is 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is Cc1nc2c(o1)NC(N)=C(C#N)C2C(C)C.
What is the InChIKey of 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is ANYNCCOOMNSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-5(2)8-7(4-12)10(13)15-11-9(8)14-6(3)16-11/h5,8,15H,13H2,1-3H3.
What are the key properties of 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 2991983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).