N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C16H17N5O3S — CID 6494264

IUPACN-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCCCc1nnc(CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)o1
InChIInChI=1S/C16H17N5O3S/c1-3-4-13-18-19-14(23-13)9-25-16-21-20-15(24-16)11-5-7-12(8-6-11)17-10(2)22/h5-8H,3-4,9H2,1-2H3,(H,17,22)
InChIKeyGOOWCNGMEGXBCG-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.32
Rot. Bonds7

About N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide

N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 6494264) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID6494264
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCCCc1nnc(CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)o1
InChIInChI=1S/C16H17N5O3S/c1-3-4-13-18-19-14(23-13)9-25-16-21-20-15(24-16)11-5-7-12(8-6-11)17-10(2)22/h5-8H,3-4,9H2,1-2H3,(H,17,22)
InChIKeyGOOWCNGMEGXBCG-UHFFFAOYSA-N
XLogP3.32
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 6494283
2-ethyl-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 18130665
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
(2R)-N-(4-acetamidophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7815978
N-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 37140127
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
2-(4-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3164486
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 56734777
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
N-(5-acetamido-2-fluorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55551642
N-[4-[4-ethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]acetamide
CID 8707887

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 6494264) is N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide is CCCc1nnc(CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)o1.
What is the InChIKey of N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is GOOWCNGMEGXBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-3-4-13-18-19-14(23-13)9-25-16-21-20-15(24-16)11-5-7-12(8-6-11)17-10(2)22/h5-8H,3-4,9H2,1-2H3,(H,17,22).
What are the key properties of N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 6494264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).