2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide

C16H15BrN4O2S — CID 7500473

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@@](C#N)(NC(=O)CSc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C16H15BrN4O2S/c1-16(9-18,10-6-7-10)19-13(22)8-24-15-21-20-14(23-15)11-4-2-3-5-12(11)17/h2-5,10H,6-8H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyPQOCCUXKFTYHNS-INIZCTEOSA-N
MW407.29 g/mol
LogP3.40
Rot. Bonds6

About 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide (PubChem CID 7500473) has the molecular formula C16H15BrN4O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
PubChem CID7500473
Molecular FormulaC16H15BrN4O2S
Molecular Weight407.29 g/mol
Exact Mass406.01
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@@](C#N)(NC(=O)CSc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C16H15BrN4O2S/c1-16(9-18,10-6-7-10)19-13(22)8-24-15-21-20-14(23-15)11-4-2-3-5-12(11)17/h2-5,10H,6-8H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyPQOCCUXKFTYHNS-INIZCTEOSA-N
XLogP3.40
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide with MolForge

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Related Compounds

2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 78503430
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 2466964
N-(1-cyano-1-cyclopropylethyl)-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766033
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9362424
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 8024703
ethyl N-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]carbamate
CID 3957367
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 86925039
2-(2-bromophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazole
CID 56734291
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78524451
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1114537
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propylphenyl)acetamide
CID 24571112
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 31101446

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide (CID 7500473) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide is C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccccc2Br)o1)C1CC1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The InChIKey is PQOCCUXKFTYHNS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15BrN4O2S/c1-16(9-18,10-6-7-10)19-13(22)8-24-15-21-20-14(23-15)11-4-2-3-5-12(11)17/h2-5,10H,6-8H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide has a molecular weight of 407.29 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 7500473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).