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

C23H24N4O3 — CID 71511349

IUPACN-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O3/c1-16(28)24-19-9-6-10-20(15-19)26-11-13-27(14-12-26)23(29)22-21(25-17(2)30-22)18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,24,28)
InChIKeyWBAIYBXKTKQLMC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.57
Rot. Bonds4

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

N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 71511349) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide
PubChem CID71511349
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O3/c1-16(28)24-19-9-6-10-20(15-19)26-11-13-27(14-12-26)23(29)22-21(25-17(2)30-22)18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,24,28)
InChIKeyWBAIYBXKTKQLMC-UHFFFAOYSA-N
XLogP3.57
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide (CID 71511349) is N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is WBAIYBXKTKQLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16(28)24-19-9-6-10-20(15-19)26-11-13-27(14-12-26)23(29)22-21(25-17(2)30-22)18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide?
N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 71511349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).