4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate

C17H12N3O4S- — CID 2413834

IUPAC4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H13N3O4S/c21-14(18-13-8-6-12(7-9-13)16(22)23)10-25-17-20-19-15(24-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)(H,22,23)/p-1
InChIKeyPFWUUOQNIHKYDQ-UHFFFAOYSA-M
MW354.37 g/mol
LogP1.83
Rot. Bonds6

About 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate

4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate (PubChem CID 2413834) has the molecular formula C17H12N3O4S- and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.

Molecular Properties

Compound Name4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
PubChem CID2413834
Molecular FormulaC17H12N3O4S-
Molecular Weight354.37 g/mol
Exact Mass354.06
IUPAC Name4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H13N3O4S/c21-14(18-13-8-6-12(7-9-13)16(22)23)10-25-17-20-19-15(24-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)(H,22,23)/p-1
InChIKeyPFWUUOQNIHKYDQ-UHFFFAOYSA-M
XLogP1.83
TPSA108.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
CID 5115761
4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 134066941
N-(4-butan-2-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78556413
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
CID 18227737
N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1080106
N-methyl-4-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 8581982
N-(2,3,4,5,6-pentabromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4118714
N-(2-cyanophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2443236
N-(3-ethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4541502
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 56734777

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The IUPAC name of 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate (CID 2413834) is 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
What is the SMILES notation for 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The canonical SMILES for 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate is O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The InChIKey is PFWUUOQNIHKYDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13N3O4S/c21-14(18-13-8-6-12(7-9-13)16(22)23)10-25-17-20-19-15(24-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)(H,22,23)/p-1.
What are the key properties of 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate has a molecular weight of 354.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate is sourced from PubChem (CID 2413834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).