N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H18ClFN4O2S — CID 4008066

IUPACN-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C20H18ClFN4O2S/c21-14-7-5-9-16(18(14)26-10-3-4-11-26)23-17(27)12-29-20-25-24-19(28-20)13-6-1-2-8-15(13)22/h1-2,5-9H,3-4,10-12H2,(H,23,27)
InChIKeyFSERTDPVOAVYEM-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.86
Rot. Bonds6

About N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4008066) has the molecular formula C20H18ClFN4O2S and a molecular weight of 432.91 g/mol. Its IUPAC name is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID4008066
Molecular FormulaC20H18ClFN4O2S
Molecular Weight432.91 g/mol
Exact Mass432.08
IUPAC NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C20H18ClFN4O2S/c21-14-7-5-9-16(18(14)26-10-3-4-11-26)23-17(27)12-29-20-25-24-19(28-20)13-6-1-2-8-15(13)22/h1-2,5-9H,3-4,10-12H2,(H,23,27)
InChIKeyFSERTDPVOAVYEM-UHFFFAOYSA-N
XLogP4.86
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3666320
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5168533
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3654794
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 5217199
N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4695392
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4215185
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4274087
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3880301
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4562852
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]acetamide
CID 5222146
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4031710

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4008066) is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccc2F)o1)Nc1cccc(Cl)c1N1CCCC1.
What is the InChIKey of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is FSERTDPVOAVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2S/c21-14-7-5-9-16(18(14)26-10-3-4-11-26)23-17(27)12-29-20-25-24-19(28-20)13-6-1-2-8-15(13)22/h1-2,5-9H,3-4,10-12H2,(H,23,27).
What are the key properties of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 432.91 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4008066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).