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

C24H28N4O2 — CID 24525445

IUPACN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)cc2C)CC1
InChIInChI=1S/C24H28N4O2/c1-4-27-12-14-28(15-13-27)21-11-10-20(16-17(21)2)25-23(29)22-18(3)30-24(26-22)19-8-6-5-7-9-19/h5-11,16H,4,12-15H2,1-3H3,(H,25,29)
InChIKeyNRQTYOMLTHTVFM-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.35
Rot. Bonds5

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

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 24525445) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID24525445
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)cc2C)CC1
InChIInChI=1S/C24H28N4O2/c1-4-27-12-14-28(15-13-27)21-11-10-20(16-17(21)2)25-23(29)22-18(3)30-24(26-22)19-8-6-5-7-9-19/h5-11,16H,4,12-15H2,1-3H3,(H,25,29)
InChIKeyNRQTYOMLTHTVFM-UHFFFAOYSA-N
XLogP4.35
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 36592874
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 24560242
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 24525595
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(methanesulfonamido)benzamide
CID 41478998
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26735908
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17455355
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-nitrobenzamide
CID 27050616
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(propan-2-ylcarbamoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 24525445) is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is CCN1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)cc2C)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is NRQTYOMLTHTVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-27-12-14-28(15-13-27)21-11-10-20(16-17(21)2)25-23(29)22-18(3)30-24(26-22)19-8-6-5-7-9-19/h5-11,16H,4,12-15H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.35, 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)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24525445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).