5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

C24H29N5O — CID 121238628

IUPAC5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCCN1CCN(C(C)CNc2oc(Cc3cccc4ccccc34)nc2C#N)CC1
InChIInChI=1S/C24H29N5O/c1-3-28-11-13-29(14-12-28)18(2)17-26-24-22(16-25)27-23(30-24)15-20-9-6-8-19-7-4-5-10-21(19)20/h4-10,18,26H,3,11-15,17H2,1-2H3
InChIKeyMAIRASUOZNDXJQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.73
Rot. Bonds7

About 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 121238628) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
PubChem CID121238628
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCCN1CCN(C(C)CNc2oc(Cc3cccc4ccccc34)nc2C#N)CC1
InChIInChI=1S/C24H29N5O/c1-3-28-11-13-29(14-12-28)18(2)17-26-24-22(16-25)27-23(30-24)15-20-9-6-8-19-7-4-5-10-21(19)20/h4-10,18,26H,3,11-15,17H2,1-2H3
InChIKeyMAIRASUOZNDXJQ-UHFFFAOYSA-N
XLogP3.73
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-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-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (CID 121238628) is 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is CCN1CCN(C(C)CNc2oc(Cc3cccc4ccccc34)nc2C#N)CC1.
What is the InChIKey of 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is MAIRASUOZNDXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-3-28-11-13-29(14-12-28)18(2)17-26-24-22(16-25)27-23(30-24)15-20-9-6-8-19-7-4-5-10-21(19)20/h4-10,18,26H,3,11-15,17H2,1-2H3.
What are the key properties of 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 403.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 121238628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).