2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

C16H17N3O3 — CID 751005

IUPAC2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1OCc1nc(C#N)c(N2CCCC2)o1
InChIInChI=1S/C16H17N3O3/c1-20-13-6-2-3-7-14(13)21-11-15-18-12(10-17)16(22-15)19-8-4-5-9-19/h2-3,6-7H,4-5,8-9,11H2,1H3
InChIKeyUVQAEEMEHSTEEJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.73
Rot. Bonds5

About 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 751005) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID751005
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1OCc1nc(C#N)c(N2CCCC2)o1
InChIInChI=1S/C16H17N3O3/c1-20-13-6-2-3-7-14(13)21-11-15-18-12(10-17)16(22-15)19-8-4-5-9-19/h2-3,6-7H,4-5,8-9,11H2,1H3
InChIKeyUVQAEEMEHSTEEJ-UHFFFAOYSA-N
XLogP2.73
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-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-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (CID 751005) is 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is COc1ccccc1OCc1nc(C#N)c(N2CCCC2)o1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is UVQAEEMEHSTEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-20-13-6-2-3-7-14(13)21-11-15-18-12(10-17)16(22-15)19-8-4-5-9-19/h2-3,6-7H,4-5,8-9,11H2,1H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 751005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).