5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile

C11H10N4O — CID 79839784

IUPAC5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
SMILESCc1cc(CNc2ccc(C#N)nc2)on1
InChIInChI=1S/C11H10N4O/c1-8-4-11(16-15-8)7-14-10-3-2-9(5-12)13-6-10/h2-4,6,14H,7H2,1H3
InChIKeyKTSQKFBEGHBSIO-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.86
Rot. Bonds3

About 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile

5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 79839784) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
PubChem CID79839784
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
SMILESCc1cc(CNc2ccc(C#N)nc2)on1
InChIInChI=1S/C11H10N4O/c1-8-4-11(16-15-8)7-14-10-3-2-9(5-12)13-6-10/h2-4,6,14H,7H2,1H3
InChIKeyKTSQKFBEGHBSIO-UHFFFAOYSA-N
XLogP1.86
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile (CID 79839784) is 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile is Cc1cc(CNc2ccc(C#N)nc2)on1.
What is the InChIKey of 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is KTSQKFBEGHBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-8-4-11(16-15-8)7-14-10-3-2-9(5-12)13-6-10/h2-4,6,14H,7H2,1H3.
What are the key properties of 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile?
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).