N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C22H22N2O2S — CID 3964090

IUPACN-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C22H22N2O2S/c25-19(23-18-13-7-8-14-18)15-27-22-24-20(16-9-3-1-4-10-16)21(26-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,23,25)
InChIKeyRPUJFVRBGVHDCN-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.16
Rot. Bonds6

About N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 3964090) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID3964090
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C22H22N2O2S/c25-19(23-18-13-7-8-14-18)15-27-22-24-20(16-9-3-1-4-10-16)21(26-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,23,25)
InChIKeyRPUJFVRBGVHDCN-UHFFFAOYSA-N
XLogP5.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 27954713
N-(2-adamantyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5219543
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2609655
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4044762
N-(benzylcarbamoyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 2453469
N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
CID 43031737
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 60514070
N-(2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 2268105
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4814204
N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 4240103

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 3964090) is N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is RPUJFVRBGVHDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-19(23-18-13-7-8-14-18)15-27-22-24-20(16-9-3-1-4-10-16)21(26-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,23,25).
What are the key properties of N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 378.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3964090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).