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

C11H14N4O — CID 7393707

IUPAC(7R)-5-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)[C@H]2C(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/t8-/m1/s1
InChIKeyANYNCCOOMNSLJM-MRVPVSSYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds1

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

(7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 7393707) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name(7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID7393707
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(7R)-5-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)[C@H]2C(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/t8-/m1/s1
InChIKeyANYNCCOOMNSLJM-MRVPVSSYSA-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 (7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of (7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 7393707) is (7R)-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 (7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for (7R)-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)[C@H]2C(C)C.
What is the InChIKey of (7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is ANYNCCOOMNSLJM-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (7R)-5-amino-2-methyl-7-propan-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
(7R)-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 (7R)-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 7393707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).