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

C21H24N4O2 — CID 55668689

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC(c4ccccc4)=NO3)cc2)CC1
InChIInChI=1S/C21H24N4O2/c1-24-11-13-25(14-12-24)18-9-7-17(8-10-18)22-21(26)20-15-19(23-27-20)16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3,(H,22,26)
InChIKeyLQACQFDMRQLTBQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.57
Rot. Bonds4

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

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55668689) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55668689
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC(c4ccccc4)=NO3)cc2)CC1
InChIInChI=1S/C21H24N4O2/c1-24-11-13-25(14-12-24)18-9-7-17(8-10-18)22-21(26)20-15-19(23-27-20)16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3,(H,22,26)
InChIKeyLQACQFDMRQLTBQ-UHFFFAOYSA-N
XLogP2.57
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.57
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

3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55668860
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55667379
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55671021
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46436156
N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510682

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55668689) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CN1CCN(c2ccc(NC(=O)C3CC(c4ccccc4)=NO3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LQACQFDMRQLTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-11-13-25(14-12-24)18-9-7-17(8-10-18)22-21(26)20-15-19(23-27-20)16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3,(H,22,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55668689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).