N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C12H12ClN3O2S — CID 5029651

IUPACN-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClN3O2S/c1-8-15-16-12(18-8)19-7-6-11(17)14-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyMAFHSUWDJDVLAT-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.15
Rot. Bonds5

About N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 5029651) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID5029651
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClN3O2S/c1-8-15-16-12(18-8)19-7-6-11(17)14-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyMAFHSUWDJDVLAT-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 3311415
N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6463352
N-(2-fluorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6494326
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 936761
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 4215186
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 4288952
N-(2,4-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6494270
2-((5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide hydrochloride
CID 6603205
N-(3-Chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 599467
2-{[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
CID 663213
N-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4445271
N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5151633

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 5029651) is N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SCCC(=O)Nc2ccc(Cl)cc2)o1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is MAFHSUWDJDVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-15-16-12(18-8)19-7-6-11(17)14-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 297.77 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 5029651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).