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

C20H28N4O3 — CID 46055619

IUPAC2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-15(2)12-21-20(25)18-14-27-19(22-18)13-23-8-10-24(11-9-23)16-4-6-17(26-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,21,25)
InChIKeyYNARRFGRVYCSNF-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.39
Rot. Bonds7

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

2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 46055619) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID46055619
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-15(2)12-21-20(25)18-14-27-19(22-18)13-23-8-10-24(11-9-23)16-4-6-17(26-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,21,25)
InChIKeyYNARRFGRVYCSNF-UHFFFAOYSA-N
XLogP2.39
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.39
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-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 46055619) is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is COc1ccc(N2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YNARRFGRVYCSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(2)12-21-20(25)18-14-27-19(22-18)13-23-8-10-24(11-9-23)16-4-6-17(26-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,21,25).
What are the key properties of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.39, 7 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-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46055619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).