1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one

C16H18N4O3S — CID 20930010

IUPAC1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCC(C)c1ccc(-c2noc(SCC(=O)N3CCNC3=O)n2)cc1
InChIInChI=1S/C16H18N4O3S/c1-10(2)11-3-5-12(6-4-11)14-18-16(23-19-14)24-9-13(21)20-8-7-17-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,17,22)
InChIKeyFVMSDZULHDEHJQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 20930010) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID20930010
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCC(C)c1ccc(-c2noc(SCC(=O)N3CCNC3=O)n2)cc1
InChIInChI=1S/C16H18N4O3S/c1-10(2)11-3-5-12(6-4-11)14-18-16(23-19-14)24-9-13(21)20-8-7-17-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,17,22)
InChIKeyFVMSDZULHDEHJQ-UHFFFAOYSA-N
XLogP2.50
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 21403822
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 15987644
methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028478
1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 7661135
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344368
ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 35616188
[1-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541317
N-(4-fluorophenyl)-2-[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 55410758
1-[(2S)-2-methylpyrrolidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 95782745
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 30462007

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 20930010) is 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one is CC(C)c1ccc(-c2noc(SCC(=O)N3CCNC3=O)n2)cc1.
What is the InChIKey of 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is FVMSDZULHDEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10(2)11-3-5-12(6-4-11)14-18-16(23-19-14)24-9-13(21)20-8-7-17-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,17,22).
What are the key properties of 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 346.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 20930010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).