N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

C20H22N6O2 — CID 166180673

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCN(c3cccnn3)CC2)no1
InChIInChI=1S/C20H22N6O2/c1-15-14-17(24-28-15)22-20(27)19(16-6-3-2-4-7-16)26-12-10-25(11-13-26)18-8-5-9-21-23-18/h2-9,14,19H,10-13H2,1H3,(H,22,24,27)
InChIKeyHRQRGGKOIWPESO-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.28
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide (PubChem CID 166180673) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
PubChem CID166180673
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCN(c3cccnn3)CC2)no1
InChIInChI=1S/C20H22N6O2/c1-15-14-17(24-28-15)22-20(27)19(16-6-3-2-4-7-16)26-12-10-25(11-13-26)18-8-5-9-21-23-18/h2-9,14,19H,10-13H2,1H3,(H,22,24,27)
InChIKeyHRQRGGKOIWPESO-UHFFFAOYSA-N
XLogP2.28
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 166184100
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide
CID 86894407
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
(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-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 166276398
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 95619270
1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 94566097
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 17438264

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide (CID 166180673) is N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide is Cc1cc(NC(=O)C(c2ccccc2)N2CCN(c3cccnn3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is HRQRGGKOIWPESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-14-17(24-28-15)22-20(27)19(16-6-3-2-4-7-16)26-12-10-25(11-13-26)18-8-5-9-21-23-18/h2-9,14,19H,10-13H2,1H3,(H,22,24,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 166180673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).