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

C15H12N4O2S — CID 162787773

IUPACN-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N4O2S/c1-10(20)17-13-12(8-5-9-16-13)22-15-19-18-14(21-15)11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17,20)
InChIKeySYQVZBBGBMBMSA-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.24
Rot. Bonds4

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

N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide (PubChem CID 162787773) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide
PubChem CID162787773
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N4O2S/c1-10(20)17-13-12(8-5-9-16-13)22-15-19-18-14(21-15)11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17,20)
InChIKeySYQVZBBGBMBMSA-UHFFFAOYSA-N
XLogP3.24
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-propylsulfanyl-2-pyridinyl)acetamide
CID 67868236
(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2638577
N-(3-hydroxy-2-pyridinyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30162184
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 9364426
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
S-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl) benzenecarbothioate
CID 11403334
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153787
N-(3,5-dichlorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16537072
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide (CID 162787773) is N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide is CC(=O)Nc1ncccc1Sc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide?
The InChIKey is SYQVZBBGBMBMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-10(20)17-13-12(8-5-9-16-13)22-15-19-18-14(21-15)11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17,20).
What are the key properties of N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide?
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide has a molecular weight of 312.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162787773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).