N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide

C26H26N4O2 — CID 6489765

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C26H26N4O2/c1-2-29-13-15-30(16-14-29)23-11-9-22(10-12-23)28-26(31)24-25(32-18-27-24)21-8-7-19-5-3-4-6-20(19)17-21/h3-12,17-18H,2,13-16H2,1H3,(H,28,31)
InChIKeyOVOCDEHYUPQCLQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.89
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 6489765) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID6489765
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C26H26N4O2/c1-2-29-13-15-30(16-14-29)23-11-9-22(10-12-23)28-26(31)24-25(32-18-27-24)21-8-7-19-5-3-4-6-20(19)17-21/h3-12,17-18H,2,13-16H2,1H3,(H,28,31)
InChIKeyOVOCDEHYUPQCLQ-UHFFFAOYSA-N
XLogP4.89
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 110689293
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 136532249
N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 21216609
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
CID 154773806
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide (CID 6489765) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is OVOCDEHYUPQCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-2-29-13-15-30(16-14-29)23-11-9-22(10-12-23)28-26(31)24-25(32-18-27-24)21-8-7-19-5-3-4-6-20(19)17-21/h3-12,17-18H,2,13-16H2,1H3,(H,28,31).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 6489765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).