2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C17H13N7O3S — CID 4042963

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13N7O3S/c25-13-8-6-12(7-9-13)24-17(21-22-23-24)28-10-14(26)18-16-20-19-15(27-16)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,18,20,26)
InChIKeyBMBPNPSHPBQOII-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.15
Rot. Bonds6

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 4042963) has the molecular formula C17H13N7O3S and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID4042963
Molecular FormulaC17H13N7O3S
Molecular Weight395.40 g/mol
Exact Mass395.08
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13N7O3S/c25-13-8-6-12(7-9-13)24-17(21-22-23-24)28-10-14(26)18-16-20-19-15(27-16)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,18,20,26)
InChIKeyBMBPNPSHPBQOII-UHFFFAOYSA-N
XLogP2.15
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2,6-dichlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814771
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9438459
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7837089
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35987244
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352432
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4814756
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31372285
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2524493

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 4042963) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is BMBPNPSHPBQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O3S/c25-13-8-6-12(7-9-13)24-17(21-22-23-24)28-10-14(26)18-16-20-19-15(27-16)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,18,20,26).
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 395.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 4042963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).