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

C19H18ClN3O4S — CID 75398177

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H](CO)Cc1ccc(O)cc1
InChIInChI=1S/C19H18ClN3O4S/c20-14-5-3-13(4-6-14)18-22-23-19(27-18)28-11-17(26)21-15(10-24)9-12-1-7-16(25)8-2-12/h1-8,15,24-25H,9-11H2,(H,21,26)/t15-/m0/s1
InChIKeyMYWFKVZYDAUIMU-HNNXBMFYSA-N
MW419.89 g/mol
LogP2.91
Rot. Bonds8

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide (PubChem CID 75398177) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide
PubChem CID75398177
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H](CO)Cc1ccc(O)cc1
InChIInChI=1S/C19H18ClN3O4S/c20-14-5-3-13(4-6-14)18-22-23-19(27-18)28-11-17(26)21-15(10-24)9-12-1-7-16(25)8-2-12/h1-8,15,24-25H,9-11H2,(H,21,26)/t15-/m0/s1
InChIKeyMYWFKVZYDAUIMU-HNNXBMFYSA-N
XLogP2.91
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide (CID 75398177) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H](CO)Cc1ccc(O)cc1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide?
The InChIKey is MYWFKVZYDAUIMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c20-14-5-3-13(4-6-14)18-22-23-19(27-18)28-11-17(26)21-15(10-24)9-12-1-7-16(25)8-2-12/h1-8,15,24-25H,9-11H2,(H,21,26)/t15-/m0/s1.
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide has a molecular weight of 419.89 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 75398177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).