3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide

C22H22N4O3 — CID 71511328

IUPAC3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)o1
InChIInChI=1S/C22H22N4O3/c1-15-24-19(16-6-3-2-4-7-16)20(29-15)22(28)26-12-10-25(11-13-26)18-9-5-8-17(14-18)21(23)27/h2-9,14H,10-13H2,1H3,(H2,23,27)
InChIKeyYNUNQWBQZPMTQB-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.71
Rot. Bonds4

About 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide

3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide (PubChem CID 71511328) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide
PubChem CID71511328
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)o1
InChIInChI=1S/C22H22N4O3/c1-15-24-19(16-6-3-2-4-7-16)20(29-15)22(28)26-12-10-25(11-13-26)18-9-5-8-17(14-18)21(23)27/h2-9,14H,10-13H2,1H3,(H2,23,27)
InChIKeyYNUNQWBQZPMTQB-UHFFFAOYSA-N
XLogP2.71
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide (CID 71511328) is 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)o1.
What is the InChIKey of 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is YNUNQWBQZPMTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-24-19(16-6-3-2-4-7-16)20(29-15)22(28)26-12-10-25(11-13-26)18-9-5-8-17(14-18)21(23)27/h2-9,14H,10-13H2,1H3,(H2,23,27).
What are the key properties of 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide?
3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 71511328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).