2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

C16H17N3O4 — CID 664308

IUPAC2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1OC
InChIInChI=1S/C16H17N3O4/c1-20-13-4-3-11(9-14(13)21-2)15-18-12(10-17)16(23-15)19-5-7-22-8-6-19/h3-4,9H,5-8H2,1-2H3
InChIKeyFCVKDGZDUJYPSH-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.07
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 664308) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID664308
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1OC
InChIInChI=1S/C16H17N3O4/c1-20-13-4-3-11(9-14(13)21-2)15-18-12(10-17)16(23-15)19-5-7-22-8-6-19/h3-4,9H,5-8H2,1-2H3
InChIKeyFCVKDGZDUJYPSH-UHFFFAOYSA-N
XLogP2.07
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-5-morpholin-4-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-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 664308) is 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is COc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is FCVKDGZDUJYPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-20-13-4-3-11(9-14(13)21-2)15-18-12(10-17)16(23-15)19-5-7-22-8-6-19/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 315.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).