1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone

C25H25N3O3S — CID 60514070

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H25N3O3S/c29-21(27-13-15-28(16-14-27)24(30)20-11-12-20)17-32-25-26-22(18-7-3-1-4-8-18)23(31-25)19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyMUPLQCGPWBVRSJ-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.18
Rot. Bonds6

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 60514070) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID60514070
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H25N3O3S/c29-21(27-13-15-28(16-14-27)24(30)20-11-12-20)17-32-25-26-22(18-7-3-1-4-8-18)23(31-25)19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyMUPLQCGPWBVRSJ-UHFFFAOYSA-N
XLogP4.18
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 4169635
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2609655
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 27954713
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 5037309
2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
CID 43834769
N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3894765
N-(2-adamantyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5219543
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylethanone
CID 95292483
N-(3-chloro-2-methylphenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5024827
N-(1,1-dioxothiolan-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
CID 5132223
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 60514070) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is MUPLQCGPWBVRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c29-21(27-13-15-28(16-14-27)24(30)20-11-12-20)17-32-25-26-22(18-7-3-1-4-8-18)23(31-25)19-9-5-2-6-10-19/h1-10,20H,11-17H2.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 447.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 60514070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).