1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile

C24H26N4O3 — CID 171914429

IUPAC1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile
SMILESCOc1ncccc1-c1ccc(OCCc2c(C)noc2C)c(CN2CC(C#N)C2)c1
InChIInChI=1S/C24H26N4O3/c1-16-21(17(2)31-27-16)8-10-30-23-7-6-19(22-5-4-9-26-24(22)29-3)11-20(23)15-28-13-18(12-25)14-28/h4-7,9,11,18H,8,10,13-15H2,1-3H3
InChIKeyNFMZFXMLNYTTFW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.94
Rot. Bonds8

About 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile

1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile (PubChem CID 171914429) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile
PubChem CID171914429
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile
SMILESCOc1ncccc1-c1ccc(OCCc2c(C)noc2C)c(CN2CC(C#N)C2)c1
InChIInChI=1S/C24H26N4O3/c1-16-21(17(2)31-27-16)8-10-30-23-7-6-19(22-5-4-9-26-24(22)29-3)11-20(23)15-28-13-18(12-25)14-28/h4-7,9,11,18H,8,10,13-15H2,1-3H3
InChIKeyNFMZFXMLNYTTFW-UHFFFAOYSA-N
XLogP3.94
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-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 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile?
The IUPAC name of 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile (CID 171914429) is 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile is COc1ncccc1-c1ccc(OCCc2c(C)noc2C)c(CN2CC(C#N)C2)c1.
What is the InChIKey of 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile?
The InChIKey is NFMZFXMLNYTTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-21(17(2)31-27-16)8-10-30-23-7-6-19(22-5-4-9-26-24(22)29-3)11-20(23)15-28-13-18(12-25)14-28/h4-7,9,11,18H,8,10,13-15H2,1-3H3.
What are the key properties of 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile?
1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile has a molecular weight of 418.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile is sourced from PubChem (CID 171914429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).