2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile

C18H23N5O — CID 46300257

IUPAC2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile
SMILESCC1(C)CC(Nc2oc(-c3cccnc3)nc2C#N)CC(C)(C)N1
InChIInChI=1S/C18H23N5O/c1-17(2)8-13(9-18(3,4)23-17)21-16-14(10-19)22-15(24-16)12-6-5-7-20-11-12/h5-7,11,13,21,23H,8-9H2,1-4H3
InChIKeyFLYKZVXRRWKUFY-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.33
Rot. Bonds3

About 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile

2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile (PubChem CID 46300257) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile
PubChem CID46300257
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile
SMILESCC1(C)CC(Nc2oc(-c3cccnc3)nc2C#N)CC(C)(C)N1
InChIInChI=1S/C18H23N5O/c1-17(2)8-13(9-18(3,4)23-17)21-16-14(10-19)22-15(24-16)12-6-5-7-20-11-12/h5-7,11,13,21,23H,8-9H2,1-4H3
InChIKeyFLYKZVXRRWKUFY-UHFFFAOYSA-N
XLogP3.33
TPSA86.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile (CID 46300257) is 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile is CC1(C)CC(Nc2oc(-c3cccnc3)nc2C#N)CC(C)(C)N1.
What is the InChIKey of 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is FLYKZVXRRWKUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-17(2)8-13(9-18(3,4)23-17)21-16-14(10-19)22-15(24-16)12-6-5-7-20-11-12/h5-7,11,13,21,23H,8-9H2,1-4H3.
What are the key properties of 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile?
2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 46300257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).