5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C24H22N4O4 — CID 55569162

IUPAC5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc2c(CN3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc(=O)oc2c1C
InChIInChI=1S/C24H22N4O4/c1-15-5-6-18-17(12-21(29)31-22(18)16(15)2)14-27-7-9-28(10-8-27)24-19(13-25)26-23(32-24)20-4-3-11-30-20/h3-6,11-12H,7-10,14H2,1-2H3
InChIKeyHFAORTDUPKIIMD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.85
Rot. Bonds4

About 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 55569162) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID55569162
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc2c(CN3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc(=O)oc2c1C
InChIInChI=1S/C24H22N4O4/c1-15-5-6-18-17(12-21(29)31-22(18)16(15)2)14-27-7-9-28(10-8-27)24-19(13-25)26-23(32-24)20-4-3-11-30-20/h3-6,11-12H,7-10,14H2,1-2H3
InChIKeyHFAORTDUPKIIMD-UHFFFAOYSA-N
XLogP3.85
TPSA99.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-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 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 55569162) is 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is Cc1ccc2c(CN3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc(=O)oc2c1C.
What is the InChIKey of 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is HFAORTDUPKIIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15-5-6-18-17(12-21(29)31-22(18)16(15)2)14-27-7-9-28(10-8-27)24-19(13-25)26-23(32-24)20-4-3-11-30-20/h3-6,11-12H,7-10,14H2,1-2H3.
What are the key properties of 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 430.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 55569162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).