2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile

C19H24N4O2 — CID 135110545

IUPAC2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCO[C@H]1CN(c2nc(C)c(C)c(C)c2C#N)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C19H24N4O2/c1-11-6-16(25-22-11)7-15-9-23(10-18(15)24-5)19-17(8-20)13(3)12(2)14(4)21-19/h6,15,18H,7,9-10H2,1-5H3/t15-,18+/m1/s1
InChIKeyFLMNXZAFMHNUNC-QAPCUYQASA-N
MW340.43 g/mol
LogP2.87
Rot. Bonds4

About 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile

2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile (PubChem CID 135110545) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile
PubChem CID135110545
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCO[C@H]1CN(c2nc(C)c(C)c(C)c2C#N)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C19H24N4O2/c1-11-6-16(25-22-11)7-15-9-23(10-18(15)24-5)19-17(8-20)13(3)12(2)14(4)21-19/h6,15,18H,7,9-10H2,1-5H3/t15-,18+/m1/s1
InChIKeyFLMNXZAFMHNUNC-QAPCUYQASA-N
XLogP2.87
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-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-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile (CID 135110545) is 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile is CO[C@H]1CN(c2nc(C)c(C)c(C)c2C#N)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile?
The InChIKey is FLMNXZAFMHNUNC-QAPCUYQASA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-6-16(25-22-11)7-15-9-23(10-18(15)24-5)19-17(8-20)13(3)12(2)14(4)21-19/h6,15,18H,7,9-10H2,1-5H3/t15-,18+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile?
2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile is sourced from PubChem (CID 135110545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).