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

C13H11BrN4O3S — CID 9394264

IUPAC1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1nnc(-c2cccc(Br)c2)o1)N1CCNC1=O
InChIInChI=1S/C13H11BrN4O3S/c14-9-3-1-2-8(6-9)11-16-17-13(21-11)22-7-10(19)18-5-4-15-12(18)20/h1-3,6H,4-5,7H2,(H,15,20)
InChIKeyMVMNFPSEQJTROJ-UHFFFAOYSA-N
MW383.23 g/mol
LogP2.14
Rot. Bonds4

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

1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 9394264) has the molecular formula C13H11BrN4O3S and a molecular weight of 383.23 g/mol. Its IUPAC name is 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID9394264
Molecular FormulaC13H11BrN4O3S
Molecular Weight383.23 g/mol
Exact Mass381.97
IUPAC Name1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1nnc(-c2cccc(Br)c2)o1)N1CCNC1=O
InChIInChI=1S/C13H11BrN4O3S/c14-9-3-1-2-8(6-9)11-16-17-13(21-11)22-7-10(19)18-5-4-15-12(18)20/h1-3,6H,4-5,7H2,(H,15,20)
InChIKeyMVMNFPSEQJTROJ-UHFFFAOYSA-N
XLogP2.14
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-[[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 8300303
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2531489
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 16326199
N-methyl-N'-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}urea
CID 736611
2-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 71596679
3-[[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76314057
2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-diethylacetamide
CID 1202442
3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione
CID 2563812
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 4316553
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylpropanamide
CID 16271573
2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio}-N-cyclopentylacetamide
CID 2958550
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2464416

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 9394264) is 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is O=C(CSc1nnc(-c2cccc(Br)c2)o1)N1CCNC1=O.
What is the InChIKey of 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is MVMNFPSEQJTROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3S/c14-9-3-1-2-8(6-9)11-16-17-13(21-11)22-7-10(19)18-5-4-15-12(18)20/h1-3,6H,4-5,7H2,(H,15,20).
What are the key properties of 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 383.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9394264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).