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

C24H26N4O3 — CID 166184100

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCN(C(=O)Cc3ccccc3)CC2)no1
InChIInChI=1S/C24H26N4O3/c1-18-16-21(26-31-18)25-24(30)23(20-10-6-3-7-11-20)28-14-12-27(13-15-28)22(29)17-19-8-4-2-5-9-19/h2-11,16,23H,12-15,17H2,1H3,(H,25,26,30)
InChIKeySMJXUEDTPKFNRL-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.05
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide (PubChem CID 166184100) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
PubChem CID166184100
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCN(C(=O)Cc3ccccc3)CC2)no1
InChIInChI=1S/C24H26N4O3/c1-18-16-21(26-31-18)25-24(30)23(20-10-6-3-7-11-20)28-14-12-27(13-15-28)22(29)17-19-8-4-2-5-9-19/h2-11,16,23H,12-15,17H2,1H3,(H,25,26,30)
InChIKeySMJXUEDTPKFNRL-UHFFFAOYSA-N
XLogP3.05
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
(2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34717220
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
CID 166180673
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 95619270
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43002731
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
4-benzhydryl-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 24528636
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109002094
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110645725

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide (CID 166184100) is N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide is Cc1cc(NC(=O)C(c2ccccc2)N2CCN(C(=O)Cc3ccccc3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide?
The InChIKey is SMJXUEDTPKFNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-18-16-21(26-31-18)25-24(30)23(20-10-6-3-7-11-20)28-14-12-27(13-15-28)22(29)17-19-8-4-2-5-9-19/h2-11,16,23H,12-15,17H2,1H3,(H,25,26,30).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 166184100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).