5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

C17H18N4O — CID 2987112

IUPAC5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCCCc1nc2c(o1)NC(N)=C(C#N)C2Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-2-6-14-20-15-12(9-11-7-4-3-5-8-11)13(10-18)16(19)21-17(15)22-14/h3-5,7-8,12,21H,2,6,9,19H2,1H3
InChIKeyFYDYGQNTIKAGLN-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.07
Rot. Bonds4

About 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 2987112) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID2987112
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCCCc1nc2c(o1)NC(N)=C(C#N)C2Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-2-6-14-20-15-12(9-11-7-4-3-5-8-11)13(10-18)16(19)21-17(15)22-14/h3-5,7-8,12,21H,2,6,9,19H2,1H3
InChIKeyFYDYGQNTIKAGLN-UHFFFAOYSA-N
XLogP3.07
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 2987112) is 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is CCCc1nc2c(o1)NC(N)=C(C#N)C2Cc1ccccc1.
What is the InChIKey of 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is FYDYGQNTIKAGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-6-14-20-15-12(9-11-7-4-3-5-8-11)13(10-18)16(19)21-17(15)22-14/h3-5,7-8,12,21H,2,6,9,19H2,1H3.
What are the key properties of 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-benzyl-2-propyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 2987112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).