N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide

C17H21N7O2S — CID 42950314

IUPACN-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SC(C)c2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C17H21N7O2S/c1-10(14-19-15(21-26-14)17(3,4)5)27-16-20-22-23-24(16)13-8-6-7-12(9-13)18-11(2)25/h6-10H,1-5H3,(H,18,25)
InChIKeyHDQPTUWIOVLPCO-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.15
Rot. Bonds5

About N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide

N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide (PubChem CID 42950314) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
PubChem CID42950314
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC NameN-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SC(C)c2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C17H21N7O2S/c1-10(14-19-15(21-26-14)17(3,4)5)27-16-20-22-23-24(16)13-8-6-7-12(9-13)18-11(2)25/h6-10H,1-5H3,(H,18,25)
InChIKeyHDQPTUWIOVLPCO-UHFFFAOYSA-N
XLogP3.15
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 42951014
N-[3-[3-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide
CID 33381832
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 71870068
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide
CID 46572532
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 46572745
N-[3-[5-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 55571400
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46572602
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46572473
N-[3-[5-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 46572780
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 43055828

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide (CID 42950314) is N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SC(C)c2nc(C(C)(C)C)no2)c1.
What is the InChIKey of N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The InChIKey is HDQPTUWIOVLPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-10(14-19-15(21-26-14)17(3,4)5)27-16-20-22-23-24(16)13-8-6-7-12(9-13)18-11(2)25/h6-10H,1-5H3,(H,18,25).
What are the key properties of N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide has a molecular weight of 387.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 42950314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).