2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile

C23H20N4O3 — CID 170343884

IUPAC2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile
SMILESCc1noc(C)c1-c1ccc([C@H](CN2C(=O)c3ccccc3C2=O)NCC#N)cc1
InChIInChI=1S/C23H20N4O3/c1-14-21(15(2)30-26-14)17-9-7-16(8-10-17)20(25-12-11-24)13-27-22(28)18-5-3-4-6-19(18)23(27)29/h3-10,20,25H,12-13H2,1-2H3/t20-/m0/s1
InChIKeyGMMMDHXEDRIPJK-FQEVSTJZSA-N
MW400.44 g/mol
LogP3.41
Rot. Bonds6

About 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile

2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile (PubChem CID 170343884) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile
PubChem CID170343884
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile
SMILESCc1noc(C)c1-c1ccc([C@H](CN2C(=O)c3ccccc3C2=O)NCC#N)cc1
InChIInChI=1S/C23H20N4O3/c1-14-21(15(2)30-26-14)17-9-7-16(8-10-17)20(25-12-11-24)13-27-22(28)18-5-3-4-6-19(18)23(27)29/h3-10,20,25H,12-13H2,1-2H3/t20-/m0/s1
InChIKeyGMMMDHXEDRIPJK-FQEVSTJZSA-N
XLogP3.41
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile 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-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile?
The IUPAC name of 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile (CID 170343884) is 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile.
What is the SMILES notation for 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile?
The canonical SMILES for 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile is Cc1noc(C)c1-c1ccc([C@H](CN2C(=O)c3ccccc3C2=O)NCC#N)cc1.
What is the InChIKey of 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile?
The InChIKey is GMMMDHXEDRIPJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-14-21(15(2)30-26-14)17-9-7-16(8-10-17)20(25-12-11-24)13-27-22(28)18-5-3-4-6-19(18)23(27)29/h3-10,20,25H,12-13H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile?
2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile has a molecular weight of 400.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile is sourced from PubChem (CID 170343884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).