2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide

C22H24N4O3 — CID 46055618

IUPAC2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccccc4)co3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-19-9-7-18(8-10-19)26-13-11-25(12-14-26)15-21-24-20(16-29-21)22(27)23-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,23,27)
InChIKeyMPARRDPNMDZQLG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.26
Rot. Bonds6

About 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide

2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 46055618) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide
PubChem CID46055618
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccccc4)co3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-19-9-7-18(8-10-19)26-13-11-25(12-14-26)15-21-24-20(16-29-21)22(27)23-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,23,27)
InChIKeyMPARRDPNMDZQLG-UHFFFAOYSA-N
XLogP3.26
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide (CID 46055618) is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide is COc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccccc4)co3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is MPARRDPNMDZQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-9-7-18(8-10-19)26-13-11-25(12-14-26)15-21-24-20(16-29-21)22(27)23-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,23,27).
What are the key properties of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide?
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46055618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).