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

C14H16N4O — CID 7376146

IUPAC(7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(o1)NC(N)=C(C#N)[C@H]2[C@@H]1CC=CCC1
InChIInChI=1S/C14H16N4O/c1-8-17-12-11(9-5-3-2-4-6-9)10(7-15)13(16)18-14(12)19-8/h2-3,9,11,18H,4-6,16H2,1H3/t9-,11-/m1/s1
InChIKeySOPYQSAQMUCPJR-MWLCHTKSSA-N
MW256.31 g/mol
LogP2.54
Rot. Bonds1

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

(7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 7376146) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name(7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID7376146
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(o1)NC(N)=C(C#N)[C@H]2[C@@H]1CC=CCC1
InChIInChI=1S/C14H16N4O/c1-8-17-12-11(9-5-3-2-4-6-9)10(7-15)13(16)18-14(12)19-8/h2-3,9,11,18H,4-6,16H2,1H3/t9-,11-/m1/s1
InChIKeySOPYQSAQMUCPJR-MWLCHTKSSA-N
XLogP2.54
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 7376146) is (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is Cc1nc2c(o1)NC(N)=C(C#N)[C@H]2[C@@H]1CC=CCC1.
What is the InChIKey of (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is SOPYQSAQMUCPJR-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-17-12-11(9-5-3-2-4-6-9)10(7-15)13(16)18-14(12)19-8/h2-3,9,11,18H,4-6,16H2,1H3/t9-,11-/m1/s1.
What are the key properties of (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
(7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 7376146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).