N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H16ClF3N4O2S — CID 39939541

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CN2CCCC2)o1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C16H16ClF3N4O2S/c17-11-5-3-4-10(16(18,19)20)14(11)21-12(25)9-27-15-23-22-13(26-15)8-24-6-1-2-7-24/h3-5H,1-2,6-9H2,(H,21,25)
InChIKeyPOCIVLLMLAZPLJ-UHFFFAOYSA-N
MW420.84 g/mol
LogP4.07
Rot. Bonds6

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 39939541) has the molecular formula C16H16ClF3N4O2S and a molecular weight of 420.84 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID39939541
Molecular FormulaC16H16ClF3N4O2S
Molecular Weight420.84 g/mol
Exact Mass420.06
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CN2CCCC2)o1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C16H16ClF3N4O2S/c17-11-5-3-4-10(16(18,19)20)14(11)21-12(25)9-27-15-23-22-13(26-15)8-24-6-1-2-7-24/h3-5H,1-2,6-9H2,(H,21,25)
InChIKeyPOCIVLLMLAZPLJ-UHFFFAOYSA-N
XLogP4.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 30299893
N-(4-bromophenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 20931197
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906204
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007808
N-(4-acetylphenyl)-2-[[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 20931194
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16541619
N-(2,3-dichlorophenyl)-2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92658744
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112779858
N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 4673603
N-(4-acetamidophenyl)-2-[[5-[[2-(2,6-dichloroanilino)phenyl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 39939541) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(CN2CCCC2)o1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is POCIVLLMLAZPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O2S/c17-11-5-3-4-10(16(18,19)20)14(11)21-12(25)9-27-15-23-22-13(26-15)8-24-6-1-2-7-24/h3-5H,1-2,6-9H2,(H,21,25).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 420.84 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 39939541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).