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

C15H14N4O — CID 2992143

IUPAC5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Nc3oc(C)nc32)cc1
InChIInChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)12-11(7-16)14(17)19-15-13(12)18-9(2)20-15/h3-6,12,19H,17H2,1-2H3
InChIKeyBSZYYYCVJOOKPW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds1

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

5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 2992143) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID2992143
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Nc3oc(C)nc32)cc1
InChIInChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)12-11(7-16)14(17)19-15-13(12)18-9(2)20-15/h3-6,12,19H,17H2,1-2H3
InChIKeyBSZYYYCVJOOKPW-UHFFFAOYSA-N
XLogP2.54
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
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-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 2992143) is 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Nc3oc(C)nc32)cc1.
What is the InChIKey of 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is BSZYYYCVJOOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)12-11(7-16)14(17)19-15-13(12)18-9(2)20-15/h3-6,12,19H,17H2,1-2H3.
What are the key properties of 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 266.30 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 5-amino-2-methyl-7-(4-methylphenyl)-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 2992143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).