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

C16H13N3O4S — CID 135693227

IUPACN-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1cccc(O)c1
InChIInChI=1S/C16H13N3O4S/c20-12-6-4-10(5-7-12)15-18-19-16(23-15)24-9-14(22)17-11-2-1-3-13(21)8-11/h1-8,20-21H,9H2,(H,17,22)
InChIKeyBHCRGKIOVXQTRJ-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.88
Rot. Bonds5

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

N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 135693227) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID135693227
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1cccc(O)c1
InChIInChI=1S/C16H13N3O4S/c20-12-6-4-10(5-7-12)15-18-19-16(23-15)24-9-14(22)17-11-2-1-3-13(21)8-11/h1-8,20-21H,9H2,(H,17,22)
InChIKeyBHCRGKIOVXQTRJ-UHFFFAOYSA-N
XLogP2.88
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 135693227) is N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BHCRGKIOVXQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-12-6-4-10(5-7-12)15-18-19-16(23-15)24-9-14(22)17-11-2-1-3-13(21)8-11/h1-8,20-21H,9H2,(H,17,22).
What are the key properties of N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 343.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135693227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).